-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathO.pbe.NC-cep.UPF
1098 lines (1086 loc) · 78.7 KB
/
O.pbe.NC-cep.UPF
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
<PP_INFO>
Generated using Fritz-Haber code
Author: unknown Generation date: as well
Info: automatically converted from FHI format
1 The Pseudo was generated with a Scalar-Relativistic Calculation
nl pn l occ Rcut Rcut US E pseu
2s 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
2p 0 1 4.00 0.00000000000 0.00000000000 0.00000000000
0d 0 2 0.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
O Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PW PBE PBE PBE Exchange-Correlation functional
6.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
1 Max angular momentum component
473 Number of points in mesh
3 2 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
2s 0 2.00
2p 1 4.00
0d 2 0.00
</PP_HEADER>
<PP_MESH>
<PP_R>
7.81250000000E-04 8.00546875000E-04 8.20320382813E-04 8.40582296268E-04
8.61344678986E-04 8.82619892557E-04 9.04420603903E-04 9.26759792819E-04
9.49650759702E-04 9.73107133467E-04 9.97142879663E-04 1.02177230879E-03
1.04701008482E-03 1.07287123391E-03 1.09937115339E-03 1.12652562088E-03
1.15435080372E-03 1.18286326857E-03 1.21207999130E-03 1.24201836709E-03
1.27269622075E-03 1.30413181741E-03 1.33634387330E-03 1.36935156697E-03
1.40317455067E-03 1.43783296207E-03 1.47334743623E-03 1.50973911791E-03
1.54702967412E-03 1.58524130707E-03 1.62439676736E-03 1.66451936751E-03
1.70563299589E-03 1.74776213089E-03 1.79093185552E-03 1.83516787235E-03
1.88049651880E-03 1.92694478281E-03 1.97454031895E-03 2.02331146483E-03
2.07328725801E-03 2.12449745328E-03 2.17697254038E-03 2.23074376212E-03
2.28584313305E-03 2.34230345843E-03 2.40015835386E-03 2.45944226520E-03
2.52019048915E-03 2.58243919423E-03 2.64622544233E-03 2.71158721075E-03
2.77856341486E-03 2.84719393121E-03 2.91751962131E-03 2.98958235595E-03
3.06342504014E-03 3.13909163864E-03 3.21662720211E-03 3.29607789400E-03
3.37749101798E-03 3.46091504613E-03 3.54639964777E-03 3.63399571907E-03
3.72375541333E-03 3.81573217204E-03 3.90998075669E-03 4.00655728138E-03
4.10551924623E-03 4.20692557161E-03 4.31083663323E-03 4.41731429807E-03
4.52642196123E-03 4.63822458367E-03 4.75278873089E-03 4.87018261254E-03
4.99047612307E-03 5.11374088331E-03 5.24005028313E-03 5.36947952512E-03
5.50210566939E-03 5.63800767943E-03 5.77726646911E-03 5.91996495090E-03
6.06618808518E-03 6.21602293089E-03 6.36955869728E-03 6.52688679710E-03
6.68810090099E-03 6.85329699325E-03 7.02257342898E-03 7.19603099268E-03
7.37377295820E-03 7.55590515026E-03 7.74253600747E-03 7.93377664686E-03
8.12974093004E-03 8.33054553101E-03 8.53631000562E-03 8.74715686276E-03
8.96321163727E-03 9.18460296471E-03 9.41146265794E-03 9.64392578559E-03
9.88213075250E-03 1.01262193821E-02 1.03763370008E-02 1.06326325247E-02
1.08952585481E-02 1.11643714342E-02 1.14401314087E-02 1.17227026545E-02
1.20122534100E-02 1.23089560693E-02 1.26129872842E-02 1.29245280701E-02
1.32437639134E-02 1.35708848821E-02 1.39060857387E-02 1.42495660564E-02
1.46015303380E-02 1.49621881374E-02 1.53317541843E-02 1.57104485127E-02
1.60984965910E-02 1.64961294568E-02 1.69035838543E-02 1.73211023755E-02
1.77489336042E-02 1.81873322642E-02 1.86365593712E-02 1.90968823876E-02
1.95685753826E-02 2.00519191946E-02 2.05472015987E-02 2.10547174782E-02
2.15747689999E-02 2.21076657942E-02 2.26537251393E-02 2.32132721502E-02
2.37866399723E-02 2.43741699796E-02 2.49762119781E-02 2.55931244140E-02
2.62252745870E-02 2.68730388693E-02 2.75368029294E-02 2.82169619618E-02
2.89139209222E-02 2.96280947690E-02 3.03599087098E-02 3.11097984549E-02
3.18782104767E-02 3.26656022755E-02 3.34724426517E-02 3.42992119852E-02
3.51464025213E-02 3.60145186635E-02 3.69040772745E-02 3.78156079832E-02
3.87496535004E-02 3.97067699419E-02 4.06875271594E-02 4.16925090803E-02
4.27223140545E-02 4.37775552117E-02 4.48588608254E-02 4.59668746878E-02
4.71022564926E-02 4.82656822280E-02 4.94578445790E-02 5.06794533401E-02
5.19312358376E-02 5.32139373628E-02 5.45283216156E-02 5.58751711595E-02
5.72552878872E-02 5.86694934980E-02 6.01186299874E-02 6.16035601481E-02
6.31251680837E-02 6.46843597354E-02 6.62820634209E-02 6.79192303874E-02
6.95968353779E-02 7.13158772118E-02 7.30773793789E-02 7.48823906496E-02
7.67319856986E-02 7.86272657454E-02 8.05693592093E-02 8.25594223817E-02
8.45986401146E-02 8.66882265254E-02 8.88294257206E-02 9.10235125359E-02
9.32717932955E-02 9.55756065899E-02 9.79363240727E-02 1.00355351277E-01
1.02834128454E-01 1.05374131427E-01 1.07976872473E-01 1.10643901223E-01
1.13376805583E-01 1.16177212681E-01 1.19046789834E-01 1.21987245543E-01
1.25000330508E-01 1.28087838672E-01 1.31251608287E-01 1.34493523012E-01
1.37815513030E-01 1.41219556202E-01 1.44707679240E-01 1.48281958917E-01
1.51944523302E-01 1.55697553028E-01 1.59543282588E-01 1.63484001668E-01
1.67522056509E-01 1.71659851305E-01 1.75899849632E-01 1.80244575918E-01
1.84696616943E-01 1.89258623381E-01 1.93933311379E-01 1.98723464170E-01
2.03631933735E-01 2.08661642498E-01 2.13815585068E-01 2.19096830019E-01
2.24508521721E-01 2.30053882207E-01 2.35736213098E-01 2.41558897561E-01
2.47525402331E-01 2.53639279769E-01 2.59904169979E-01 2.66323802977E-01
2.72902000911E-01 2.79642680333E-01 2.86549854538E-01 2.93627635945E-01
3.00880238552E-01 3.08311980445E-01 3.15927286362E-01 3.23730690335E-01
3.31726838386E-01 3.39920491294E-01 3.48316527429E-01 3.56919945657E-01
3.65735868314E-01 3.74769544262E-01 3.84026352005E-01 3.93511802900E-01
4.03231544431E-01 4.13191363579E-01 4.23397190259E-01 4.33855100858E-01
4.44571321850E-01 4.55552233499E-01 4.66804373667E-01 4.78334441696E-01
4.90149302406E-01 5.02255990176E-01 5.14661713133E-01 5.27373857447E-01
5.40399991726E-01 5.53747871522E-01 5.67425443949E-01 5.81440852414E-01
5.95802441469E-01 6.10518761773E-01 6.25598575189E-01 6.41050859996E-01
6.56884816238E-01 6.73109871199E-01 6.89735685018E-01 7.06772156438E-01
7.24229428702E-01 7.42117895590E-01 7.60448207612E-01 7.79231278340E-01
7.98478290915E-01 8.18200704700E-01 8.38410262106E-01 8.59118995580E-01
8.80339234771E-01 9.02083613870E-01 9.24365079133E-01 9.47196896587E-01
9.70592659933E-01 9.94566298633E-01 1.01913208621E+00 1.04430464874E+00
1.07009897356E+00 1.09653041821E+00 1.12361471954E+00 1.15136800311E+00
1.17980679279E+00 1.20894802057E+00 1.23880903668E+00 1.26940761988E+00
1.30076198810E+00 1.33289080920E+00 1.36581321219E+00 1.39954879853E+00
1.43411765385E+00 1.46954035990E+00 1.50583800679E+00 1.54303220556E+00
1.58114510104E+00 1.62019938503E+00 1.66021830985E+00 1.70122570210E+00
1.74324597694E+00 1.78630415257E+00 1.83042586514E+00 1.87563738401E+00
1.92196562739E+00 1.96943817839E+00 2.01808330140E+00 2.06792995894E+00
2.11900782893E+00 2.17134732230E+00 2.22497960116E+00 2.27993659731E+00
2.33625103126E+00 2.39395643174E+00 2.45308715560E+00 2.51367840834E+00
2.57576626503E+00 2.63938769178E+00 2.70458056776E+00 2.77138370779E+00
2.83983688537E+00 2.90998085644E+00 2.98185738359E+00 3.05550926097E+00
3.13098033971E+00 3.20831555410E+00 3.28756094829E+00 3.36876370371E+00
3.45197216719E+00 3.53723587972E+00 3.62460560595E+00 3.71413336442E+00
3.80587245852E+00 3.89987750825E+00 3.99620448270E+00 4.09491073342E+00
4.19605502854E+00 4.29969758774E+00 4.40590011816E+00 4.51472585108E+00
4.62623957960E+00 4.74050769722E+00 4.85759823734E+00 4.97758091380E+00
5.10052716237E+00 5.22651018328E+00 5.35560498481E+00 5.48788842793E+00
5.62343927210E+00 5.76233822212E+00 5.90466797621E+00 6.05051327522E+00
6.19996095312E+00 6.35309998866E+00 6.51002155838E+00 6.67081909087E+00
6.83558832242E+00 7.00442735398E+00 7.17743670963E+00 7.35471939635E+00
7.53638096544E+00 7.72252957529E+00 7.91327605580E+00 8.10873397438E+00
8.30901970354E+00 8.51425249022E+00 8.72455452673E+00 8.94005102354E+00
9.16087028382E+00 9.38714377983E+00 9.61900623119E+00 9.85659568510E+00
1.01000535985E+01 1.03495249224E+01 1.06051581880E+01 1.08671055952E+01
1.11355231034E+01 1.14105705241E+01 1.16924116160E+01 1.19812141830E+01
1.22771501733E+01 1.25803957826E+01 1.28911315584E+01 1.32095425079E+01
1.35358182078E+01 1.38701529176E+01 1.42127456946E+01 1.45638005133E+01
1.49235263860E+01 1.52921374877E+01 1.56698532836E+01 1.60568986597E+01
1.64535040566E+01 1.68599056068E+01 1.72763452753E+01 1.77030710036E+01
1.81403368574E+01 1.85884031778E+01 1.90475367363E+01 1.95180108937E+01
2.00001057627E+01 2.04941083751E+01 2.10003128519E+01 2.15190205794E+01
2.20505403877E+01 2.25951887353E+01 2.31532898970E+01 2.37251761575E+01
2.43111880086E+01 2.49116743524E+01 2.55269927089E+01 2.61575094288E+01
2.68035999117E+01 2.74656488295E+01 2.81440503556E+01 2.88392083994E+01
2.95515368469E+01 3.02814598070E+01 3.10294118642E+01 3.17958383373E+01
3.25811955442E+01 3.33859510741E+01 3.42105840657E+01 3.50555854921E+01
3.59214584537E+01 3.68087184775E+01 3.77178938239E+01 3.86495258014E+01
3.96041690887E+01 4.05823920652E+01 4.15847771492E+01 4.26119211448E+01
4.36644355970E+01 4.47429471563E+01 4.58480979510E+01 4.69805459704E+01
4.81409654559E+01 4.93300473027E+01 5.05484994710E+01 5.17970474080E+01
5.30764344790E+01 5.43874224106E+01 5.57307917441E+01 5.71073423002E+01
5.85178936550E+01 5.99632856283E+01 6.14443787833E+01 6.29620549393E+01
6.45172176963E+01 6.61107929734E+01 6.77437295598E+01 6.94169996799E+01
7.11315995720E+01 7.28885500815E+01 7.46888972685E+01 7.65337130310E+01
7.84240957429E+01
</PP_R>
<PP_RAB>
1.90624115809E-05 1.95332531469E-05 2.00157244997E-05 2.05101128948E-05
2.10167126833E-05 2.15358254866E-05 2.20677603761E-05 2.26128340574E-05
2.31713710586E-05 2.37437039238E-05 2.43301734107E-05 2.49311286939E-05
2.55469275727E-05 2.61779366837E-05 2.68245317198E-05 2.74870976533E-05
2.81660289653E-05 2.88617298807E-05 2.95746146088E-05 3.03051075896E-05
3.10536437471E-05 3.18206687477E-05 3.26066392657E-05 3.34120232556E-05
3.42373002300E-05 3.50829615457E-05 3.59495106959E-05 3.68374636100E-05
3.77473489612E-05 3.86797084806E-05 3.96350972800E-05 4.06140841828E-05
4.16172520622E-05 4.26451981881E-05 4.36985345833E-05 4.47778883876E-05
4.58839022307E-05 4.70172346158E-05 4.81785603108E-05 4.93685707505E-05
5.05879744481E-05 5.18374974169E-05 5.31178836031E-05 5.44298953281E-05
5.57743137427E-05 5.71519392922E-05 5.85635921927E-05 6.00101129198E-05
6.14923627090E-05 6.30112240679E-05 6.45676013023E-05 6.61624210545E-05
6.77966328546E-05 6.94712096861E-05 7.11871485653E-05 7.29454711349E-05
7.47472242719E-05 7.65934807114E-05 7.84853396850E-05 8.04239275752E-05
8.24103985863E-05 8.44459354314E-05 8.65317500366E-05 8.86690842625E-05
9.08592106437E-05 9.31034331466E-05 9.54030879454E-05 9.77595442176E-05
1.00174204960E-04 1.02648507822E-04 1.05183925966E-04 1.07781968937E-04
1.10444183570E-04 1.13172154904E-04 1.15967507130E-04 1.18831904556E-04
1.21767052599E-04 1.24774698798E-04 1.27856633858E-04 1.31014692714E-04
1.34250755624E-04 1.37566749288E-04 1.40964647996E-04 1.44446474801E-04
1.48014302729E-04 1.51670256006E-04 1.55416511330E-04 1.59255299159E-04
1.63188905049E-04 1.67219671003E-04 1.71349996877E-04 1.75582341800E-04
1.79919225642E-04 1.84363230516E-04 1.88917002310E-04 1.93583252267E-04
1.98364758598E-04 2.03264368135E-04 2.08284998028E-04 2.13429637479E-04
2.18701349525E-04 2.24103272858E-04 2.29638623698E-04 2.35310697703E-04
2.41122871936E-04 2.47078606873E-04 2.53181448463E-04 2.59435030240E-04
2.65843075487E-04 2.72409399451E-04 2.79137911618E-04 2.86032618035E-04
2.93097623700E-04 3.00337135006E-04 3.07755462240E-04 3.15357022158E-04
3.23146340605E-04 3.31128055218E-04 3.39306918182E-04 3.47687799061E-04
3.56275687698E-04 3.65075697184E-04 3.74093066904E-04 3.83333165657E-04
3.92801494848E-04 4.02503691771E-04 4.12445532958E-04 4.22632937622E-04
4.33071971181E-04 4.43768848870E-04 4.54729939437E-04 4.65961768941E-04
4.77471024633E-04 4.89264558942E-04 5.01349393548E-04 5.13732723568E-04
5.26421921841E-04 5.39424543310E-04 5.52748329530E-04 5.66401213269E-04
5.80391323237E-04 5.94726988921E-04 6.09416745547E-04 6.24469339162E-04
6.39893731840E-04 6.55699107016E-04 6.71894874959E-04 6.88490678371E-04
7.05496398127E-04 7.22922159160E-04 7.40778336492E-04 7.59075561403E-04
7.77824727770E-04 7.97036998545E-04 8.16723812410E-04 8.36896890576E-04
8.57568243773E-04 8.78750179394E-04 9.00455308826E-04 9.22696554953E-04
9.45487159861E-04 9.68840692709E-04 9.92771057819E-04 1.01729250295E-03
1.04241962777E-03 1.06816739258E-03 1.09455112717E-03 1.12158654001E-03
1.14928972755E-03 1.17767718382E-03 1.20676581026E-03 1.23657292578E-03
1.26711627704E-03 1.29841404909E-03 1.33048487610E-03 1.36334785254E-03
1.39702254450E-03 1.43152900135E-03 1.46688776768E-03 1.50311989554E-03
1.54024695696E-03 1.57829105680E-03 1.61727484590E-03 1.65722153459E-03
1.69815490650E-03 1.74009933269E-03 1.78307978621E-03 1.82712185693E-03
1.87225176679E-03 1.91849638543E-03 1.96588324615E-03 2.01444056233E-03
2.06419724422E-03 2.11518291615E-03 2.16742793418E-03 2.22096340416E-03
2.27582120024E-03 2.33203398388E-03 2.38963522329E-03 2.44865921330E-03
2.50914109587E-03 2.57111688094E-03 2.63462346790E-03 2.69969866755E-03
2.76638122464E-03 2.83471084089E-03 2.90472819866E-03 2.97647498517E-03
3.04999391730E-03 3.12532876706E-03 3.20252438761E-03 3.28162673998E-03
3.36268292046E-03 3.44574118859E-03 3.53085099595E-03 3.61806301555E-03
3.70742917204E-03 3.79900267258E-03 3.89283803860E-03 3.98899113815E-03
4.08751921926E-03 4.18848094398E-03 4.29193642330E-03 4.39794725295E-03
4.50657655010E-03 4.61788899089E-03 4.73195084896E-03 4.84883003493E-03
4.96859613679E-03 5.09132046137E-03 5.21707607677E-03 5.34593785586E-03
5.47798252090E-03 5.61328868917E-03 5.75193691979E-03 5.89400976171E-03
6.03959180283E-03 6.18876972036E-03 6.34163233245E-03 6.49827065106E-03
6.65877793614E-03 6.82324975116E-03 6.99178402002E-03 7.16448108531E-03
7.34144376812E-03 7.52277742919E-03 7.70859003169E-03 7.89899220548E-03
8.09409731295E-03 8.29402151658E-03 8.49888384804E-03 8.70880627909E-03
8.92391379418E-03 9.14433446490E-03 9.37019952618E-03 9.60164345448E-03
9.83880404780E-03 1.00818225078E-02 1.03308435237E-02 1.05860153588E-02
1.08474899381E-02 1.11154229396E-02 1.13899738862E-02 1.16713062412E-02
1.19595875053E-02 1.22549893167E-02 1.25576875529E-02 1.28678624354E-02
1.31856986376E-02 1.35113853939E-02 1.38451166131E-02 1.41870909935E-02
1.45375121410E-02 1.48965886909E-02 1.52645344316E-02 1.56415684320E-02
1.60279151723E-02 1.64238046771E-02 1.68294726526E-02 1.72451606271E-02
1.76711160946E-02 1.81075926621E-02 1.85548502009E-02 1.90131550008E-02
1.94827799294E-02 1.99640045936E-02 2.04571155071E-02 2.09624062601E-02
2.14801776947E-02 2.20107380838E-02 2.25544033145E-02 2.31114970763E-02
2.36823510541E-02 2.42673051252E-02 2.48667075617E-02 2.54809152385E-02
2.61102938449E-02 2.67552181029E-02 2.74160719900E-02 2.80932489682E-02
2.87871522177E-02 2.94981948775E-02 3.02268002909E-02 3.09734022581E-02
3.17384452939E-02 3.25223848927E-02 3.33256877995E-02 3.41488322882E-02
3.49923084457E-02 3.58566184643E-02 3.67422769403E-02 3.76498111808E-02
3.85797615169E-02 3.95326816264E-02 4.05091388626E-02 4.15097145925E-02
4.25350045429E-02 4.35856191551E-02 4.46621839483E-02 4.57653398918E-02
4.68957437871E-02 4.80540686587E-02 4.92410041545E-02 5.04572569571E-02
5.17035512040E-02 5.29806289187E-02 5.42892504530E-02 5.56301949392E-02
5.70042607542E-02 5.84122659948E-02 5.98550489649E-02 6.13334686743E-02
6.28484053506E-02 6.44007609627E-02 6.59914597585E-02 6.76214488146E-02
6.92916986003E-02 7.10032035557E-02 7.27569826835E-02 7.45540801558E-02
7.63955659357E-02 7.82825364143E-02 8.02161150637E-02 8.21974531058E-02
8.42277301975E-02 8.63081551334E-02 8.84399665652E-02 9.06244337393E-02
9.28628572527E-02 9.51565698268E-02 9.75069371016E-02 9.99153584480E-02
1.02383267802E-01 1.04912134516E-01 1.07503464239E-01 1.10158799806E-01
1.12879722161E-01 1.15667851298E-01 1.18524847225E-01 1.21452410952E-01
1.24452285502E-01 1.27526256954E-01 1.30676155501E-01 1.33903856542E-01
1.37211281798E-01 1.40600400459E-01 1.44073230350E-01 1.47631839140E-01
1.51278345566E-01 1.55014920702E-01 1.58843789243E-01 1.62767230838E-01
1.66787581439E-01 1.70907234701E-01 1.75128643398E-01 1.79454320890E-01
1.83886842616E-01 1.88428847628E-01 1.93083040165E-01 1.97852191257E-01
2.02739140381E-01 2.07746797148E-01 2.12878143038E-01 2.18136233171E-01
2.23524198130E-01 2.29045245824E-01 2.34702663396E-01 2.40499819182E-01
2.46440164716E-01 2.52527236784E-01 2.58764659533E-01 2.65156146623E-01
2.71705503445E-01 2.78416629380E-01 2.85293520126E-01 2.92340270073E-01
2.99561074743E-01 3.06960233290E-01 3.14542151052E-01 3.22311342183E-01
3.30272432335E-01 3.38430161413E-01 3.46789386400E-01 3.55355084244E-01
3.64132354825E-01 3.73126423989E-01 3.82342646662E-01 3.91786510035E-01
4.01463636832E-01 4.11379788662E-01 4.21540869442E-01 4.31952928917E-01
4.42622166262E-01 4.53554933768E-01 4.64757740632E-01 4.76237256826E-01
4.88000317070E-01 5.00053924901E-01 5.12405256846E-01 5.25061666690E-01
5.38030689858E-01 5.51320047897E-01 5.64937653080E-01 5.78891613111E-01
5.93190235955E-01 6.07842034783E-01 6.22855733042E-01 6.38240269648E-01
6.54004804309E-01 6.70158722975E-01 6.86711643433E-01 7.03673421025E-01
7.21054154525E-01 7.38864192142E-01 7.57114137687E-01 7.75814856888E-01
7.94977483853E-01 8.14613427705E-01 8.34734379369E-01 8.55352318539E-01
8.76479520807E-01 8.98128564971E-01 9.20312340526E-01 9.43044055337E-01
9.66337243504E-01 9.90205773418E-01 1.01466385602E+00 1.03972605327E+00
1.06540728678E+00 1.09172284676E+00 1.11868840108E+00 1.14632000459E+00
1.17463410870E+00 1.20364757118E+00 1.23337766619E+00 1.26384209455E+00
1.29505899428E+00 1.32704695144E+00 1.35982501114E+00 1.39341268892E+00
1.42782998233E+00 1.46309738290E+00 1.49923588826E+00 1.53626701470E+00
1.57421280996E+00 1.61309586636E+00 1.65293933426E+00 1.69376693582E+00
1.73560297913E+00 1.77847237272E+00 1.82240064033E+00 1.86741393614E+00
1.91353906036E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-2.31302546936E+01 -2.31302837105E+01 -2.31303141067E+01 -2.31303459526E+01
-2.31303793224E+01 -2.31304142938E+01 -2.31304509483E+01 -2.31304893716E+01
-2.31305296535E+01 -2.31305718881E+01 -2.31306161745E+01 -2.31306626164E+01
-2.31307113228E+01 -2.31307624081E+01 -2.31308159921E+01 -2.31308722009E+01
-2.31309311666E+01 -2.31309930280E+01 -2.31310579306E+01 -2.31311260272E+01
-2.31311974782E+01 -2.31312724520E+01 -2.31313511251E+01 -2.31314336829E+01
-2.31315203200E+01 -2.31316112407E+01 -2.31317066591E+01 -2.31318068003E+01
-2.31319119002E+01 -2.31320222065E+01 -2.31321379792E+01 -2.31322594911E+01
-2.31323870284E+01 -2.31325208915E+01 -2.31326613956E+01 -2.31328088716E+01
-2.31329636664E+01 -2.31331261441E+01 -2.31332966870E+01 -2.31334756958E+01
-2.31336635912E+01 -2.31338608144E+01 -2.31340678284E+01 -2.31342851186E+01
-2.31345131946E+01 -2.31347525907E+01 -2.31350038673E+01 -2.31352676123E+01
-2.31355444422E+01 -2.31358350035E+01 -2.31361399744E+01 -2.31364600659E+01
-2.31367960233E+01 -2.31371486285E+01 -2.31375187007E+01 -2.31379070992E+01
-2.31383147243E+01 -2.31387425199E+01 -2.31391914752E+01 -2.31396626267E+01
-2.31401570607E+01 -2.31406759151E+01 -2.31412203822E+01 -2.31417917108E+01
-2.31423912090E+01 -2.31430202466E+01 -2.31436802578E+01 -2.31443727443E+01
-2.31450992781E+01 -2.31458615043E+01 -2.31466611446E+01 -2.31475000003E+01
-2.31483799558E+01 -2.31493029819E+01 -2.31502711394E+01 -2.31512865827E+01
-2.31523515639E+01 -2.31534684360E+01 -2.31546396574E+01 -2.31558677959E+01
-2.31571555322E+01 -2.31585056651E+01 -2.31599211146E+01 -2.31614049273E+01
-2.31629602800E+01 -2.31645904845E+01 -2.31662989916E+01 -2.31680893960E+01
-2.31699654403E+01 -2.31719310197E+01 -2.31739901857E+01 -2.31761471510E+01
-2.31784062929E+01 -2.31807721577E+01 -2.31832494640E+01 -2.31858431065E+01
-2.31885581586E+01 -2.31913998759E+01 -2.31943736981E+01 -2.31974852510E+01
-2.32007403480E+01 -2.32041449909E+01 -2.32077053699E+01 -2.32114278628E+01
-2.32153190337E+01 -2.32193856301E+01 -2.32236345795E+01 -2.32280729845E+01
-2.32327081164E+01 -2.32375474078E+01 -2.32425984429E+01 -2.32478689470E+01
-2.32533667728E+01 -2.32590998861E+01 -2.32650763476E+01 -2.32713042940E+01
-2.32777919148E+01 -2.32845474276E+01 -2.32915790496E+01 -2.32988949664E+01
-2.33065032970E+01 -2.33144120556E+01 -2.33226291096E+01 -2.33311621332E+01
-2.33400185581E+01 -2.33492055185E+01 -2.33587297931E+01 -2.33685977421E+01
-2.33788152395E+01 -2.33893876018E+01 -2.34003195112E+01 -2.34116149354E+01
-2.34232770427E+01 -2.34353081130E+01 -2.34477094455E+01 -2.34604812625E+01
-2.34736226105E+01 -2.34871312593E+01 -2.35010035982E+01 -2.35152345324E+01
-2.35298173784E+01 -2.35447437603E+01 -2.35600035080E+01 -2.35755845582E+01
-2.35914728594E+01 -2.36076522830E+01 -2.36241045412E+01 -2.36408091130E+01
-2.36577431808E+01 -2.36748815790E+01 -2.36921967552E+01 -2.37096587473E+01
-2.37272351770E+01 -2.37448912614E+01 -2.37625898448E+01 -2.37802914505E+01
-2.37979543566E+01 -2.38155346929E+01 -2.38329865635E+01 -2.38502621921E+01
-2.38673120934E+01 -2.38840852670E+01 -2.39005294165E+01 -2.39165911902E+01
-2.39322164436E+01 -2.39473505216E+01 -2.39619385579E+01 -2.39759257897E+01
-2.39892578843E+01 -2.40018812746E+01 -2.40137435005E+01 -2.40247935515E+01
-2.40349822076E+01 -2.40442623741E+01 -2.40525894055E+01 -2.40599214158E+01
-2.40662195700E+01 -2.40714483530E+01 -2.40755758125E+01 -2.40785737725E+01
-2.40804180130E+01 -2.40810884142E+01 -2.40805690626E+01 -2.40788483161E+01
-2.40759188263E+01 -2.40717775187E+01 -2.40664255277E+01 -2.40598680878E+01
-2.40521143813E+01 -2.40431773429E+01 -2.40330734233E+01 -2.40218223145E+01
-2.40094466377E+01 -2.39959715999E+01 -2.39814246206E+01 -2.39658349347E+01
-2.39492331753E+01 -2.39316509438E+01 -2.39131203701E+01 -2.38936736721E+01
-2.38733427186E+01 -2.38521586036E+01 -2.38301512369E+01 -2.38073489595E+01
-2.37837781881E+01 -2.37594630957E+01 -2.37344253337E+01 -2.37086837992E+01
-2.36822544544E+01 -2.36551501981E+01 -2.36273807949E+01 -2.35989528622E+01
-2.35698699165E+01 -2.35401324780E+01 -2.35097382335E+01 -2.34786822538E+01
-2.34469572633E+01 -2.34145539568E+01 -2.33814613590E+01 -2.33476672187E+01
-2.33131584324E+01 -2.32779214875E+01 -2.32419429172E+01 -2.32052097570E+01
-2.31677099937E+01 -2.31294329945E+01 -2.30903699081E+01 -2.30505140249E+01
-2.30098610873E+01 -2.29684095380E+01 -2.29261606989E+01 -2.28831188681E+01
-2.28392913273E+01 -2.27946882486E+01 -2.27493224912E+01 -2.27032092743E+01
-2.26563657106E+01 -2.26088101816E+01 -2.25605615245E+01 -2.25116379955E+01
-2.24620559591E+01 -2.24118282366E+01 -2.23609620323E+01 -2.23094563293E+01
-2.22572986313E+01 -2.22044609065E+01 -2.21508945790E+01 -2.20965244216E+01
-2.20412412338E+01 -2.19848932617E+01 -2.19272764455E+01 -2.18681237720E+01
-2.18070942915E+01 -2.17437627026E+01 -2.16776108080E+01 -2.16080225232E+01
-2.15342843815E+01 -2.14555934798E+01 -2.13710744058E+01 -2.12798057561E+01
-2.11808554085E+01 -2.10733219082E+01 -2.09563775497E+01 -2.08293074993E+01
-2.06915391127E+01 -2.05426567516E+01 -2.03823997833E+01 -2.02106445257E+01
-2.00273738582E+01 -1.98326402750E+01 -1.96265288240E+01 -1.94091256377E+01
-1.91804960305E+01 -1.89406739979E+01 -1.86896629936E+01 -1.84274464413E+01
-1.81540056877E+01 -1.78693429387E+01 -1.75735069550E+01 -1.72666197246E+01
-1.69489027906E+01 -1.66207023102E+01 -1.62825121845E+01 -1.59349947344E+01
-1.55789984125E+01 -1.52155719555E+01 -1.48459742346E+01 -1.44716788574E+01
-1.40943723473E+01 -1.37159444806E+01 -1.33384691186E+01 -1.29641736474E+01
-1.25953949652E+01 -1.22345198811E+01 -1.18839078834E+01 -1.15457946199E+01
-1.12221752819E+01 -1.09146686568E+01 -1.06243652798E+01 -1.03516673858E+01
-1.00961349376E+01 -9.85636185155E+00 -9.62992099505E+00 -9.41343750428E+00
-9.20288015287E+00 -8.99420358507E+00 -8.78453488202E+00 -8.57418169969E+00
-8.36750827391E+00 -8.16581453017E+00 -7.96898197622E+00 -7.77689359526E+00
-7.58943514874E+00 -7.40649511959E+00 -7.22796465467E+00 -7.05373750679E+00
-6.88370997666E+00 -6.71778085512E+00 -6.55585136586E+00 -6.39782510877E+00
-6.24360800412E+00 -6.09310823771E+00 -5.94623620702E+00 -5.80290446837E+00
-5.66302768525E+00 -5.52652257779E+00 -5.39330787332E+00 -5.26330425807E+00
-5.13643433003E+00 -5.01262255290E+00 -4.89179521113E+00 -4.77388036605E+00
-4.65880781304E+00 -4.54650903975E+00 -4.43691718526E+00 -4.32996700035E+00
-4.22559480857E+00 -4.12373846840E+00 -4.02433733620E+00 -3.92733223011E+00
-3.83266539486E+00 -3.74028046732E+00 -3.65012244298E+00 -3.56213764319E+00
-3.47627368321E+00 -3.39247944102E+00 -3.31070502686E+00 -3.23090175354E+00
-3.15302210749E+00 -3.07701972040E+00 -3.00284934166E+00 -2.93046681142E+00
-2.85982903427E+00 -2.79089395361E+00 -2.72362052661E+00 -2.65796869972E+00
-2.59389938492E+00 -2.53137443634E+00 -2.47035662764E+00 -2.41080962978E+00
-2.35269798944E+00 -2.29598710788E+00 -2.24064322033E+00 -2.18663337595E+00
-2.13392541812E+00 -2.08248796538E+00 -2.03229039268E+00 -1.98330281319E+00
-1.93549606050E+00 -1.88884167122E+00 -1.84331186808E+00 -1.79887954336E+00
-1.75551824276E+00 -1.71320214966E+00 -1.67190606974E+00 -1.63160541597E+00
-1.59227619397E+00 -1.55389498778E+00 -1.51643894582E+00 -1.47988576736E+00
-1.44421368924E+00 -1.40940147286E+00 -1.37542839159E+00 -1.34227421839E+00
-1.30991921381E+00 -1.27834411419E+00 -1.24753012022E+00 -1.21745888574E+00
-1.18811250682E+00 -1.15947351110E+00 -1.13152484737E+00 -1.10424987545E+00
-1.07763235625E+00 -1.05165644213E+00 -1.02630666744E+00 -1.00156793934E+00
-9.77425528778E-01 -9.53865061753E-01 -9.30872510737E-01 -9.08434186335E-01
-8.86536729126E-01 -8.65167101713E-01 -8.44312580963E-01 -8.23960750428E-01
-8.04099492952E-01 -7.84716983461E-01 -7.65801681917E-01 -7.47342326454E-01
-7.29327926665E-01 -7.11747757066E-01 -6.94591350703E-01 -6.77848492928E-01
-6.61509215310E-01 -6.45563789704E-01 -6.30002722459E-01 -6.14816748765E-01
-5.99996827135E-01 -5.85534134024E-01 -5.71420058577E-01 -5.57646197499E-01
-5.44204350053E-01 -5.31086513177E-01 -5.18284876722E-01 -5.05791818798E-01
-4.93599901237E-01 -4.81701865168E-01 -4.70090626689E-01 -4.58759272654E-01
-4.47701056557E-01 -4.36909394513E-01 -4.26377861338E-01 -4.16100186725E-01
-4.06070251513E-01 -3.96282084037E-01 -3.86729856580E-01 -3.77407881897E-01
-3.68310609834E-01 -3.59432624021E-01 -3.50768638646E-01 -3.42313495312E-01
-3.34062159961E-01 -3.26009719880E-01 -3.18151380775E-01 -3.10482463916E-01
-3.02998403353E-01 -2.95694743196E-01 -2.88567134963E-01 -2.81611334988E-01
-2.74823201902E-01 -2.68198694156E-01 -2.61733867626E-01 -2.55424873256E-01
-2.49267954773E-01 -2.43259446446E-01 -2.37395770905E-01 -2.31673437010E-01
-2.26089037777E-01 -2.20639248343E-01 -2.15320823991E-01 -2.10130598215E-01
-2.05065480838E-01 -2.00122456171E-01 -1.95298581215E-01 -1.90590983912E-01
-1.85996861435E-01 -1.81513478515E-01 -1.77138165820E-01 -1.72868318356E-01
-1.68701393926E-01 -1.64634911609E-01 -1.60666450287E-01 -1.56793647201E-01
-1.53014196547E-01
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
389
9.27610706798E-03 9.50522691255E-03 9.74000601729E-03 9.98058416591E-03
1.02271045937E-02 1.04797140655E-02 1.07385629815E-02 1.10038054551E-02
1.12755994061E-02 1.15541066554E-02 1.18394930203E-02 1.21319284141E-02
1.24315869466E-02 1.27386470281E-02 1.30532914758E-02 1.33757076220E-02
1.37060874262E-02 1.40446275892E-02 1.43915296702E-02 1.47470002067E-02
1.51112508375E-02 1.54844984290E-02 1.58669652037E-02 1.62588788730E-02
1.66604727726E-02 1.70719860013E-02 1.74936635635E-02 1.79257565149E-02
1.83685221122E-02 1.88222239657E-02 1.92871321971E-02 1.97635235993E-02
2.02516818020E-02 2.07518974401E-02 2.12644683266E-02 2.17896996303E-02
2.23279040573E-02 2.28794020366E-02 2.34445219119E-02 2.40236001358E-02
2.46169814712E-02 2.52250191957E-02 2.58480753123E-02 2.64865207645E-02
2.71407356577E-02 2.78111094845E-02 2.84980413576E-02 2.92019402464E-02
2.99232252208E-02 3.06623257008E-02 3.14196817115E-02 3.21957441454E-02
3.29909750308E-02 3.38058478062E-02 3.46408476025E-02 3.54964715317E-02
3.63732289822E-02 3.72716419225E-02 3.81922452112E-02 3.91355869156E-02
4.01022286378E-02 4.10927458485E-02 4.21077282295E-02 4.31477800246E-02
4.42135203989E-02 4.53055838070E-02 4.64246203707E-02 4.75712962652E-02
4.87462941157E-02 4.99503134033E-02 5.11840708806E-02 5.24483009983E-02
5.37437563419E-02 5.50712080787E-02 5.64314464167E-02 5.78252810743E-02
5.92535417615E-02 6.07170786729E-02 6.22167629933E-02 6.37534874153E-02
6.53281666696E-02 6.69417380687E-02 6.85951620636E-02 7.02894228143E-02
7.20255287746E-02 7.38045132905E-02 7.56274352144E-02 7.74953795333E-02
7.94094580132E-02 8.13708098586E-02 8.33806023890E-02 8.54400317315E-02
8.75503235299E-02 8.97127336723E-02 9.19285490357E-02 9.41990882488E-02
9.65257024739E-02 9.89097762075E-02 1.01352728101E-01 1.03856011801E-01
1.06421116809E-01 1.09049569366E-01 1.11742933352E-01 1.14502811216E-01
1.17330844920E-01 1.20228716912E-01 1.23198151118E-01 1.26240913966E-01
1.29358815424E-01 1.32553710071E-01 1.35827498191E-01 1.39182126895E-01
1.42619591269E-01 1.46141935546E-01 1.49751254318E-01 1.53449693760E-01
1.57239452900E-01 1.61122784909E-01 1.65101998424E-01 1.69179458906E-01
1.73357590025E-01 1.77638875085E-01 1.82025858476E-01 1.86521147163E-01
1.91127412216E-01 1.95847390361E-01 2.00683885587E-01 2.05639770777E-01
2.10717989378E-01 2.15921557120E-01 2.21253563764E-01 2.26717174894E-01
2.32315633756E-01 2.38052263129E-01 2.43930467248E-01 2.49953733766E-01
2.56125635764E-01 2.62449833800E-01 2.68930078014E-01 2.75570210267E-01
2.82374166344E-01 2.89345978189E-01 2.96489776197E-01 3.03809791560E-01
3.11310358654E-01 3.18995917480E-01 3.26871016163E-01 3.34940313493E-01
3.43208581526E-01 3.51680708232E-01 3.60361700204E-01 3.69256685412E-01
3.78370916013E-01 3.87709771219E-01 3.97278760214E-01 4.07083525123E-01
4.17129844038E-01 4.27423634091E-01 4.37970954588E-01 4.48778010176E-01
4.59851154080E-01 4.71196891371E-01 4.82821882289E-01 4.94732945602E-01
5.06937062017E-01 5.19441377615E-01 5.32253207333E-01 5.45380038468E-01
5.58829534209E-01 5.72609537189E-01 5.86728073055E-01 6.01193354036E-01
6.16013782522E-01 6.31197954623E-01 6.46754663712E-01 6.62692903941E-01
6.79021873703E-01 6.95750979047E-01 7.12889837007E-01 7.30448278843E-01
7.48436353170E-01 7.66864328945E-01 7.85742698291E-01 8.05082179131E-01
8.24893717598E-01 8.45188490179E-01 8.65977905558E-01 8.87273606116E-01
9.09087469023E-01 9.31431606881E-01 9.54318367842E-01 9.77760335138E-01
1.00177032594E+00 1.02636138944E+00 1.05154680411E+00 1.07734007397E+00
1.10375492373E+00 1.13080529275E+00 1.15850532761E+00 1.18686937310E+00
1.21591196143E+00 1.24564779958E+00 1.27609175436E+00 1.30725883503E+00
1.33916417320E+00 1.37182299958E+00 1.40525061738E+00 1.43946237176E+00
1.47447361502E+00 1.51029966707E+00 1.54695577040E+00 1.58445703923E+00
1.62281840193E+00 1.66205453613E+00 1.70217979552E+00 1.74320812758E+00
1.78515298114E+00 1.82802720267E+00 1.87184292005E+00 1.91661141256E+00
1.96234296543E+00 2.00904670752E+00 2.05673043019E+00 2.10540038552E+00
2.15506106167E+00 2.20571493313E+00 2.25736218335E+00 2.31000039702E+00
2.36362421907E+00 2.41822497732E+00 2.47379026532E+00 2.53030348195E+00
2.58774332383E+00 2.64608322673E+00 2.70529075169E+00 2.76532691170E+00
2.82614543437E+00 2.88769195632E+00 2.94990314467E+00 3.01270574163E+00
3.07601552781E+00 3.13973620090E+00 3.20375816640E+00 3.26795723839E+00
3.33219324893E+00 3.39630856650E+00 3.46012652542E+00 3.52344977063E+00
3.58605852487E+00 3.64770878894E+00 3.70813048973E+00 3.76702559583E+00
3.82406622654E+00 3.87889278720E+00 3.93111217183E+00 3.98029608420E+00
4.02597953894E+00 4.06765961733E+00 4.10479456657E+00 4.13680334715E+00
4.16306575049E+00 4.18292322787E+00 4.19568059190E+00 4.20060877260E+00
4.19694883107E+00 4.18391745403E+00 4.16071417037E+00 4.12653054546E+00
4.08056161698E+00 4.02201983619E+00 3.95015176596E+00 3.86425775870E+00
3.76371478818E+00 3.64800253365E+00 3.51673270735E+00 3.36968147009E+00
3.20682458906E+00 3.02837475136E+00 2.83482015193E+00 2.62696312516E+00
2.40595718807E+00 2.17334041894E+00 1.93106262587E+00 1.68150329181E+00
1.42747685639E+00 1.17222156148E+00 9.19367914438E-01 6.72882887557E-01
4.36986361349E-01 2.16037119593E-01 1.43869950866E-02 -1.63796397564E-01
-3.14735500848E-01 -4.35271440171E-01 -5.23106253762E-01 -5.77045826362E-01
-5.97226750457E-01 -5.85306442043E-01 -5.44591955069E-01 -4.80078897244E-01
-3.98367153673E-01 -3.07413858874E-01 -2.16074869010E-01 -1.33372222019E-01
-6.74051821386E-02 -2.37957472096E-02 -3.52716081965E-03 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_BETA>
<PP_BETA>
2 1 Beta L
389
-2.21196350122E-05 -2.32258399499E-05 -2.43873662962E-05 -2.56069806795E-05
-2.68875881944E-05 -2.82322387578E-05 -2.96441351907E-05 -3.11266404381E-05
-3.26832856314E-05 -3.43177784921E-05 -3.60340121626E-05 -3.78360744786E-05
-3.97282577058E-05 -4.17150687633E-05 -4.38012399573E-05 -4.59917402531E-05
-4.82917871098E-05 -5.07068589068E-05 -5.32427079921E-05 -5.59053743832E-05
-5.87012001520E-05 -6.16368445309E-05 -6.47192997724E-05 -6.79559078031E-05
-7.13543777098E-05 -7.49228041004E-05 -7.86696863821E-05 -8.26039490049E-05
-8.67349627162E-05 -9.10725668788E-05 -9.56270929046E-05 -1.00409388860E-04
-1.05430845303E-04 -1.10703422407E-04 -1.16239678452E-04 -1.22052799726E-04
-1.28156631932E-04 -1.34565713161E-04 -1.41295308518E-04 -1.48361446471E-04
-1.55780957024E-04 -1.63571511799E-04 -1.71751666118E-04 -1.80340903191E-04
-1.89359680513E-04 -1.98829478582E-04 -2.08772852049E-04 -2.19213483430E-04
-2.30176239499E-04 -2.41687230503E-04 -2.53773872335E-04 -2.66464951819E-04
-2.79790695252E-04 -2.93782840379E-04 -3.08474711960E-04 -3.23901301121E-04
-3.40099348665E-04 -3.57107432551E-04 -3.74966059742E-04 -3.93717762647E-04
-4.13407200385E-04 -4.34081265100E-04 -4.55789193602E-04 -4.78582684580E-04
-5.02516021671E-04 -5.27646202685E-04 -5.54033075280E-04 -5.81739479426E-04
-6.10831396972E-04 -6.41378108706E-04 -6.73452359242E-04 -7.07130530155E-04
-7.42492821766E-04 -7.79623444003E-04 -8.18610816792E-04 -8.59547780469E-04
-9.02531816690E-04 -9.47665280374E-04 -9.95055643232E-04 -1.04481574946E-03
-1.09706408418E-03 -1.15192505530E-03 -1.20952928947E-03 -1.27001394272E-03
-1.33352302672E-03 -1.40020775122E-03 -1.47022688367E-03 -1.54374712671E-03
-1.62094351449E-03 -1.70199982885E-03 -1.78710903616E-03 -1.87647374597E-03
-1.97030669258E-03 -2.06883124054E-03 -2.17228191542E-03 -2.28090496098E-03
-2.39495892414E-03 -2.51471526905E-03 -2.64045902185E-03 -2.77248944736E-03
-2.91112075970E-03 -3.05668286804E-03 -3.20952215967E-03 -3.37000232190E-03
-3.53850520492E-03 -3.71543172754E-03 -3.90120282794E-03 -4.09626046173E-03
-4.30106864957E-03 -4.51611457680E-03 -4.74190974773E-03 -4.97899119716E-03
-5.22792276207E-03 -5.48929641632E-03 -5.76373367159E-03 -6.05188704768E-03
-6.35444161563E-03 -6.67211661734E-03 -7.00566716515E-03 -7.35588602563E-03
-7.72360549146E-03 -8.10969934578E-03 -8.51508492348E-03 -8.94072527425E-03
-9.38763143218E-03 -9.85686479719E-03 -1.03495396337E-02 -1.08668256920E-02
-1.14099509589E-02 -1.19802045428E-02 -1.25789397006E-02 -1.32075770130E-02
-1.38676077150E-02 -1.45605971892E-02 -1.52881886297E-02 -1.60521068850E-02
-1.68541624875E-02 -1.76962558794E-02 -1.85803818437E-02 -1.95086341497E-02
-2.04832104239E-02 -2.15064172562E-02 -2.25806755516E-02 -2.37085261406E-02
-2.48926356585E-02 -2.61358027062E-02 -2.74409643067E-02 -2.88112026680E-02
-3.02497522693E-02 -3.17600072825E-02 -3.33455293448E-02 -3.50100556981E-02
-3.67575077112E-02 -3.85919998003E-02 -4.05178487666E-02 -4.25395835673E-02
-4.46619555392E-02 -4.68899490927E-02 -4.92287928964E-02 -5.16839715719E-02
-5.42612379186E-02 -5.69666256900E-02 -5.98064629425E-02 -6.27873859775E-02
-6.59163539000E-02 -6.92006638152E-02 -7.26479666849E-02 -7.62662838676E-02
-8.00640243630E-02 -8.40500027840E-02 -8.82334580791E-02 -9.26240730244E-02
-9.72319945081E-02 -1.02067854626E-01 -1.07142792610E-01 -1.12468477599E-01
-1.18057132279E-01 -1.23921557394E-01 -1.30075157154E-01 -1.36531965523E-01
-1.43306673421E-01 -1.50414656816E-01 -1.57872005710E-01 -1.65695554010E-01
-1.73902910258E-01 -1.82512489205E-01 -1.91543544182E-01 -2.01016200228E-01
-2.10951487924E-01 -2.21371377851E-01 -2.32298815593E-01 -2.43757757175E-01
-2.55773204825E-01 -2.68371242894E-01 -2.81579073782E-01 -2.95425053656E-01
-3.09938727726E-01 -3.25150864822E-01 -3.41093490941E-01 -3.57799921419E-01
-3.75304791313E-01 -3.93644083516E-01 -4.12855154082E-01 -4.32976754133E-01
-4.54049047674E-01 -4.76113624515E-01 -4.99213507415E-01 -5.23393152453E-01
-5.48698441483E-01 -5.75176665408E-01 -6.02876496837E-01 -6.31847950533E-01
-6.62142329842E-01 -6.93812157110E-01 -7.26911085844E-01 -7.61493792127E-01
-7.97615842519E-01 -8.35333535383E-01 -8.74703712223E-01 -9.15783535308E-01
-9.58630227441E-01 -1.00330076936E+00 -1.04985154978E+00 -1.09833796278E+00
-1.14881394650E+00 -1.20133145694E+00 -1.25593987002E+00 -1.31268530450E+00
-1.37160985810E+00 -1.43275074851E+00 -1.49613935083E+00 -1.56180012235E+00
-1.62974940585E+00 -1.69999410198E+00 -1.77253020184E+00 -1.84734117120E+00
-1.92439617800E+00 -2.00364815662E+00 -2.08503170298E+00 -2.16846079728E+00
-2.25382635349E+00 -2.34099359810E+00 -2.42979928533E+00 -2.52004876084E+00
-2.61151289300E+00 -2.70392489829E+00 -2.79697709690E+00 -2.89031764532E+00
-2.98354730557E+00 -3.07621632459E+00 -3.16782151405E+00 -3.25780363792E+00
-3.34554523516E+00 -3.43036902485E+00 -3.51153706286E+00 -3.58825084020E+00
-3.65965253393E+00 -3.72482764002E+00 -3.78280923244E+00 -3.83258410254E+00
-3.87310103479E+00 -3.90328146719E+00 -3.92203276383E+00 -3.92826429108E+00
-3.92090643348E+00 -3.89893260955E+00 -3.86138424707E+00 -3.80739855227E+00
-3.73623875603E+00 -3.64732634508E+00 -3.54027458943E+00 -3.41492246721E+00
-3.27136787105E+00 -3.10999877120E+00 -2.93152082418E+00 -2.73697977003E+00
-2.52777687834E+00 -2.30567570319E+00 -2.07279851050E+00 -1.83161096483E+00
-1.58489401560E+00 -1.33570240538E+00 -1.08730982318E+00 -8.43141414923E-01
-6.06695099071E-01 -3.81453857465E-01 -1.70791808141E-01 2.21226613788E-02
1.94423193026E-01 3.43637762050E-01 4.67773985821E-01 5.65395207736E-01
6.35686172491E-01 6.78508282328E-01 6.94445473788E-01 6.84842311237E-01
6.51835460358E-01 5.98377670395E-01 5.28249085085E-01 4.46043503988E-01
3.57106787263E-01 2.67391188459E-01 1.83174216940E-01 1.10576057626E-01
5.47988817346E-02 1.90073921497E-02 2.77228711506E-03 -1.36367354762E-13
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_BETA>
<PP_DIJ>
2 Number of nonzero Dij
1 1 7.73800013040E-01
2 2 -1.09867105241E+00
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
2s 0 2.00 Wavefunction
1.16847933227E-03 1.19734077178E-03 1.22691508884E-03 1.25721989154E-03
1.28827322272E-03 1.32009356985E-03 1.35269987833E-03 1.38611156128E-03
1.42034851135E-03 1.45543111252E-03 1.49138025225E-03 1.52821733392E-03
1.56596428955E-03 1.60464359289E-03 1.64427827276E-03 1.68489192679E-03
1.72650873546E-03 1.76915347649E-03 1.81285153959E-03 1.85762894158E-03
1.90351234190E-03 1.95052905843E-03 1.99870708379E-03 2.04807510200E-03
2.09866250556E-03 2.15049941292E-03 2.20361668644E-03 2.25804595075E-03
2.31381961159E-03 2.37097087506E-03 2.42953376742E-03 2.48954315537E-03
2.55103476674E-03 2.61404521181E-03 2.67861200508E-03 2.74477358761E-03
2.81256934988E-03 2.88203965528E-03 2.95322586409E-03 3.02617035813E-03
3.10091656597E-03 3.17750898880E-03 3.25599322686E-03 3.33641600667E-03
3.41882520876E-03 3.50326989622E-03 3.58980034387E-03 3.67846806819E-03
3.76932585799E-03 3.86242780582E-03 3.95782934013E-03 4.05558725832E-03
4.15575976048E-03 4.25840648405E-03 4.36358853932E-03 4.47136854575E-03
4.58181066927E-03 4.69498066045E-03 4.81094589360E-03 4.92977540690E-03
5.05153994341E-03 5.17631199322E-03 5.30416583652E-03 5.43517758783E-03
5.56942524126E-03 5.70698871690E-03 5.84794990835E-03 5.99239273143E-03
6.14040317412E-03 6.29206934763E-03 6.44748153888E-03 6.60673226411E-03
6.76991632392E-03 6.93713085967E-03 7.10847541116E-03 7.28405197587E-03
7.46396506954E-03 7.64832178832E-03 7.83723187241E-03 8.03080777128E-03
8.22916471047E-03 8.43242076008E-03 8.64069690491E-03 8.85411711629E-03
9.07280842578E-03 9.29690100053E-03 9.52652822067E-03 9.76182675843E-03
1.00029366593E-02 1.02500014251E-02 1.05031680993E-02 1.07625873542E-02
1.10284135801E-02 1.13008049773E-02 1.15799236495E-02 1.18659357002E-02
1.21590113312E-02 1.24593249431E-02 1.27670552392E-02 1.30823853310E-02
1.34055028464E-02 1.37366000416E-02 1.40758739142E-02 1.44235263199E-02
1.47797640924E-02 1.51447991649E-02 1.55188486961E-02 1.59021351983E-02
1.62948866689E-02 1.66973367248E-02 1.71097247406E-02 1.75322959898E-02
1.79653017893E-02 1.84089996479E-02 1.88636534175E-02 1.93295334490E-02
1.98069167510E-02 2.02960871531E-02 2.07973354727E-02 2.13109596856E-02
2.18372651011E-02 2.23765645414E-02 2.29291785246E-02 2.34954354524E-02
2.40756718029E-02 2.46702323269E-02 2.52794702494E-02 2.59037474759E-02
2.65434348033E-02 2.71989121363E-02 2.78705687079E-02 2.85588033061E-02
2.92640245052E-02 2.99866509026E-02 3.07271113614E-02 3.14858452584E-02
3.22633027371E-02 3.30599449683E-02 3.38762444143E-02 3.47126851013E-02
3.55697628961E-02 3.64479857907E-02 3.73478741915E-02 3.82699612170E-02
3.92147929998E-02 4.01829289974E-02 4.11749423082E-02 4.21914199950E-02
4.32329634159E-02 4.43001885611E-02 4.53937263980E-02 4.65142232229E-02
4.76623410205E-02 4.88387578299E-02 5.00441681191E-02 5.12792831668E-02
5.25448314509E-02 5.38415590459E-02 5.51702300274E-02 5.65316268838E-02
5.79265509368E-02 5.93558227689E-02 6.08202826586E-02 6.23207910234E-02
6.38582288711E-02 6.54334982576E-02 6.70475227526E-02 6.87012479134E-02
7.03956417648E-02 7.21316952874E-02 7.39104229114E-02 7.57328630185E-02
7.76000784494E-02 7.95131570180E-02 8.14732120307E-02 8.34813828124E-02
8.55388352365E-02 8.76467622598E-02 8.98063844617E-02 9.20189505869E-02
9.42857380903E-02 9.66080536847E-02 9.89872338893E-02 1.01424645579E-01
1.03921686532E-01 1.06479785979E-01 1.09100405142E-01 1.11785037782E-01
1.14535210722E-01 1.17352484386E-01 1.20238453305E-01 1.23194746635E-01
1.26223028641E-01 1.29324999183E-01 1.32502394175E-01 1.35756986024E-01
1.39090584052E-01 1.42505034885E-01 1.46002222813E-01 1.49584070123E-01
1.53252537387E-01 1.57009623710E-01 1.60857366935E-01 1.64797843791E-01
1.68833169986E-01 1.72965500235E-01 1.77197028223E-01 1.81529986481E-01
1.85966646183E-01 1.90509316851E-01 1.95160345951E-01 1.99922118379E-01
2.04797055827E-01 2.09787616003E-01 2.14896291718E-01 2.20125609794E-01
2.25478129808E-01 2.30956442636E-01 2.36563168787E-01 2.42300956505E-01
2.48172479623E-01 2.54180435135E-01 2.60327540476E-01 2.66616530470E-01
2.73050153920E-01 2.79631169813E-01 2.86362343091E-01 2.93246439970E-01
3.00286222737E-01 3.07484444002E-01 3.14843840342E-01 3.22367125278E-01
3.30056981531E-01 3.37916052480E-01 3.45946932752E-01 3.54152157854E-01
3.62534192762E-01 3.71095419354E-01 3.79838122587E-01 3.88764475277E-01
3.97876521359E-01 4.07176157451E-01 4.16665112580E-01 4.26344925848E-01
4.36216921849E-01 4.46282183600E-01 4.56541522718E-01 4.66995446565E-01
4.77644122042E-01 4.88487335683E-01 4.99524449665E-01 5.10754353310E-01
5.22175409620E-01 5.33785396345E-01 5.45581441024E-01 5.57559949438E-01
5.69716526815E-01 5.82045891150E-01 5.94541777916E-01 6.07196835463E-01
6.20002510361E-01 6.32948921968E-01 6.46024725519E-01 6.59216963121E-01
6.72510902109E-01 6.85889860411E-01 6.99335018771E-01 7.12825219993E-01
7.26336755778E-01 7.39843142254E-01 7.53314885961E-01 7.66719242911E-01
7.80019974342E-01 7.93177104059E-01 8.06146683705E-01 8.18880574042E-01
8.31326252304E-01 8.43426657847E-01 8.55120090799E-01 8.66340180883E-01
8.77015946192E-01 8.87071964112E-01 8.96428678670E-01 9.05002870016E-01
9.12708312193E-01 9.19456644315E-01 9.25158477339E-01 9.29724753103E-01
9.33068363768E-01 9.35106027653E-01 9.35760401311E-01 9.34962387423E-01
9.32653573886E-01 9.28788712019E-01 9.23338112448E-01 9.16289807998E-01
9.07651306770E-01 8.97450739114E-01 8.85737194194E-01 8.72580050519E-01
8.58067136666E-01 8.42301620990E-01 8.25397632115E-01 8.07474768448E-01
7.88651883850E-01 7.69040865089E-01 7.48741583957E-01 7.27839864988E-01
7.06410672846E-01 6.84525698184E-01 6.62257710023E-01 6.39678996096E-01
6.16861413342E-01 5.93876056991E-01 5.70792937177E-01 5.47680664417E-01
5.24606145199E-01 5.01634288996E-01 4.78827728048E-01 4.56246551366E-01
4.33948054542E-01 4.11986507095E-01 3.90412939240E-01 3.69274950094E-01
3.48616539384E-01 3.28477964761E-01 3.08895626664E-01 2.89901982494E-01
2.71525491488E-01 2.53790591222E-01 2.36717706124E-01 2.20323287725E-01
2.04619885761E-01 1.89616248565E-01 1.75317450614E-01 1.61725044590E-01
1.48837234915E-01 1.36649069446E-01 1.25152645886E-01 1.14337329435E-01
1.04189978339E-01 9.46951741672E-02 8.58354539896E-02 7.75915419229E-02
6.99425779625E-02 6.28663423895E-02 5.63394744490E-02 5.03376843538E-02
4.48359579629E-02 3.98087537077E-02 3.52301914747E-02 3.10742331998E-02
2.73148548999E-02 2.39262097724E-02 2.08827818633E-02 1.81595296657E-02
1.57320188845E-02 1.35765435258E-02 1.16702344464E-02 9.99115454371E-03
8.51837988192E-03 7.23206622833E-03 6.11350069711E-03 5.14513846052E-03
4.31062476294E-03 3.59480274973E-03 2.98370788307E-03 2.46454994909E-03
2.02568385525E-03 1.65657056723E-03 1.34772963858E-03 1.09068484253E-03
8.77904426714E-04 7.02737480990E-04 5.59347841329E-04 4.42646855264E-04
3.48226212252E-04 2.72291902646E-04 2.11600217853E-04 1.63396547775E-04
1.25357575132E-04 9.55373145689E-05 7.23173014434E-05 5.43611040548E-05
4.05732161429E-05 3.00622852486E-05 2.21085478043E-05 1.61352736928E-05
1.16839710190E-05 8.39306500855E-06 5.97974195478E-06 4.22463836490E-06
2.95905513962E-06 2.05438490857E-06 1.41345570014E-06 9.63514197324E-07
6.50595306101E-07 4.35050203601E-07 2.88031212577E-07 1.88757754129E-07
1.22412470766E-07 7.85398027137E-08 4.98404488652E-08 3.12740244784E-08
1.93987556275E-08 1.18912536512E-08 7.20140446347E-09 4.30736132672E-09
2.54375446534E-09 1.48275912072E-09 8.52814973027E-10 4.83817913585E-10
2.70647172920E-10 1.49233494876E-10 8.10797661303E-11 4.33888346681E-11
2.28609916772E-11 1.18539319187E-11 6.04625313363E-12 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
2p 1 4.00 Wavefunction
2.79800375350E-06 2.93793217303E-06 3.08485842542E-06 3.23913247291E-06
3.40112179288E-06 3.57121218186E-06 3.74980877791E-06 3.93733697376E-06
4.13424343680E-06 4.34099717197E-06 4.55809063889E-06 4.78604092476E-06
5.02539097594E-06 5.27671089118E-06 5.54059927940E-06 5.81768468549E-06
6.10862708734E-06 6.41411946772E-06 6.73488946486E-06 7.07170110541E-06
7.42535662420E-06 7.79669837495E-06 8.18661083650E-06 8.59602271939E-06
9.02590917777E-06 9.47729413191E-06 9.95125270688E-06 1.04489137931E-05
1.09714627350E-05 1.15201441542E-05 1.20962649134E-05 1.27011972294E-05
1.33363819406E-05 1.40033319388E-05 1.47036357724E-05 1.54389614294E-05
1.62110603097E-05 1.70217713966E-05 1.78730256358E-05 1.87668505344E-05
1.97053749889E-05 2.06908343557E-05 2.17255757737E-05 2.28120637546E-05
2.39528860512E-05 2.51507598200E-05 2.64085380920E-05 2.77292165661E-05
2.91159407429E-05 3.05720134154E-05 3.21009025327E-05 3.37062494588E-05
3.53918776425E-05 3.71618017219E-05 3.90202370835E-05 4.09716098989E-05
4.30205676636E-05 4.51719902627E-05 4.74310015889E-05 4.98029817420E-05
5.22935798379E-05 5.49087274574E-05 5.76546527675E-05 6.05378953485E-05
6.35653217616E-05 6.67441418947E-05 7.00819261251E-05 7.35866233395E-05
7.72665798546E-05 8.11305592829E-05 8.51877633907E-05 8.94478539991E-05
9.39209759776E-05 9.86177813875E-05 1.03549454831E-04 1.08727740065E-04
1.14164967948E-04 1.19874085776E-04 1.25868688091E-04 1.32163049021E-04
1.38772156241E-04 1.45711746622E-04 1.52998343670E-04 1.60649296819E-04
1.68682822704E-04 1.77118048474E-04 1.85975057283E-04 1.95274936040E-04
2.05039825546E-04 2.15292973130E-04 2.26058787912E-04 2.37362898824E-04
2.49232215514E-04 2.61694992302E-04 2.74780895310E-04 2.88521072948E-04
3.02948229904E-04 3.18096704828E-04 3.34002551878E-04 3.50703626338E-04
3.68239674485E-04 3.86652427943E-04 4.05985702724E-04 4.26285503204E-04
4.47600131264E-04 4.69980300867E-04 4.93479258323E-04 5.18152908541E-04
5.44059947546E-04 5.71262001582E-04 5.99823773127E-04 6.29813194143E-04
6.61301586947E-04 6.94363833046E-04 7.29078550352E-04 7.65528279175E-04
8.03799677433E-04 8.43983725520E-04 8.86175941320E-04 9.30476605849E-04
9.76991000056E-04 1.02582965332E-03 1.07710860420E-03 1.13094967409E-03
1.18748075433E-03 1.24683610747E-03 1.30915668337E-03 1.37459045086E-03
1.44329274567E-03 1.51542663550E-03 1.59116330291E-03 1.67068244712E-03
1.75417270530E-03 1.84183209463E-03 1.93386847587E-03 2.03050003954E-03
2.13195581585E-03 2.23847620940E-03 2.35031355990E-03 2.46773273005E-03
2.59101172193E-03 2.72044232325E-03 2.85633078472E-03 2.99899853010E-03
3.14878290045E-03 3.30603793405E-03 3.47113518367E-03 3.64446457298E-03
3.82643529369E-03 4.01747674542E-03 4.21803952015E-03 4.42859643313E-03
4.64964360255E-03 4.88170157984E-03 5.12531653294E-03 5.38106148485E-03
5.64953760970E-03 5.93137558890E-03 6.22723702980E-03 6.53781594952E-03
6.86384032651E-03 7.20607372275E-03 7.56531697919E-03 7.94240998745E-03
8.33823354073E-03 8.75371126680E-03 9.18981164629E-03 9.64755011921E-03
1.01279912830E-02 1.06322511851E-02 1.11614997136E-02 1.17169630882E-02
1.22999264563E-02 1.29117365955E-02 1.35538047269E-02 1.42276094418E-02
1.49346997449E-02 1.56766982157E-02 1.64553042930E-02 1.72722976826E-02
1.81295418915E-02 1.90289878908E-02 1.99726779073E-02 2.09627493477E-02
2.20014388528E-02 2.30910864842E-02 2.42341400421E-02 2.54331595130E-02
2.66908216458E-02 2.80099246519E-02 2.93933930272E-02 3.08442824890E-02
3.23657850231E-02 3.39612340299E-02 3.56341095640E-02 3.73880436510E-02
3.92268256712E-02 4.11544077920E-02 4.31749104303E-02 4.52926277238E-02
4.75120329852E-02 4.98377841107E-02 5.22747289108E-02 5.48279103244E-02
5.75025714764E-02 6.03041605295E-02 6.32383352771E-02 6.63109674192E-02
6.95281464511E-02 7.28961830942E-02 7.64216121824E-02 8.01111949139E-02
8.39719203655E-02 8.80110061566E-02 9.22358981379E-02 9.66542689677E-02
1.01274015426E-01 1.06103254298E-01 1.11150316650E-01 1.16423740301E-01
1.21932260265E-01 1.27684796951E-01 1.33690441840E-01 1.39958440399E-01
1.46498171908E-01 1.53319125901E-01 1.60430874885E-01 1.67843042972E-01
1.75565270034E-01 1.83607171009E-01 1.91978289897E-01 2.00688048036E-01
2.09745686186E-01 2.19160199959E-01 2.28940268113E-01 2.39094173235E-01
2.49629714338E-01 2.60554110903E-01 2.71873897943E-01 2.83594811668E-01
2.95721665413E-01 3.08258215551E-01 3.21207017180E-01 3.34569269527E-01
3.48344651112E-01 3.62531144922E-01 3.77124854021E-01 3.92119808281E-01
4.07507763213E-01 4.23277992195E-01 4.39417073775E-01 4.55908676177E-01
4.72733341600E-01 4.89868273449E-01 5.07287130206E-01 5.24959830315E-01
5.42852373057E-01 5.60926681153E-01 5.79140471466E-01 5.97447160899E-01
6.15795815215E-01 6.34131149063E-01 6.52393585953E-01 6.70519387222E-01
6.88440859075E-01 7.06086646607E-01 7.23382123132E-01 7.40249882215E-01
7.56610338351E-01 7.72382440285E-01 7.87484498411E-01 8.01835124560E-01
8.15354278690E-01 8.27964412647E-01 8.39591696285E-01 8.50167305905E-01
8.59628749418E-01 8.67921197043E-01 8.74998780909E-01 8.80825822102E-01
8.85377939613E-01 8.88642992884E-01 8.90621808310E-01 8.91328640695E-01
8.90791323274E-01 8.89051064907E-01 8.86161860250E-01 8.82189488284E-01
8.77210086238E-01 8.71308299645E-01 8.64575024794E-01 8.57104777253E-01
8.48992739578E-01 8.40331563429E-01 8.31208026875E-01 8.21699678019E-01
8.11871632329E-01 8.01773733982E-01 7.91438340068E-01 7.80879036433E-01
7.70090635107E-01 7.59050816719E-01 7.47723735293E-01 7.36065749488E-01
7.24033116307E-01 7.11590892526E-01 6.98721324974E-01 6.85428535816E-01
6.71735079774E-01 6.57670501817E-01 6.43263604371E-01 6.28544176070E-01
6.13542551544E-01 5.98289416170E-01 5.82815712315E-01 5.67152544950E-01
5.51331086188E-01 5.35382478322E-01 5.19337735009E-01 5.03227640346E-01
4.87082645811E-01 4.70932765247E-01 4.54807468420E-01 4.38735573968E-01
4.22745142938E-01 4.06863374397E-01 3.91116504910E-01 3.75529713811E-01
3.60127036297E-01 3.44931286311E-01 3.29963990981E-01 3.15245338087E-01
3.00794137590E-01 2.86627797771E-01 2.72762315978E-01 2.59212283440E-01
2.45990903035E-01 2.33110018460E-01 2.20580152823E-01 2.08410554350E-01
1.96609246734E-01 1.85183081552E-01 1.74137790210E-01 1.63478033095E-01
1.53207443882E-01 1.43328667404E-01 1.33843390005E-01 1.24752361940E-01
1.16055411988E-01 1.07751455155E-01 9.98384948741E-02 9.23136216378E-02
8.51730103265E-02 7.84119186660E-02 7.20246892415E-02 6.60047573084E-02
6.03446663028E-02 5.50360925065E-02 5.00698798026E-02 4.54360849125E-02
4.11240329775E-02 3.71223828681E-02 3.34192011966E-02 3.00020436929E-02
2.68580423716E-02 2.39739967860E-02 2.13364676093E-02 1.89318708026E-02
1.67465707082E-02 1.47669705301E-02 1.29795988262E-02 1.13711908162E-02
9.92876350650E-03 8.63968383486E-03 7.49172923578E-03 6.47314022222E-03
5.57266475950E-03 4.77959437722E-03 4.08379211649E-03 3.47571254606E-03
2.94641419763E-03 2.48756487034E-03 2.09144033473E-03 1.75091702985E-03
1.45945939279E-03 1.21110248912E-03 1.00043062730E-03 8.22552639827E-04
6.73074501680E-04 5.48069932654E-04 4.44049597004E-04 3.57929472186E-04
2.86998910672E-04 2.28888865924E-04 1.81540697496E-04 1.43175912196E-04
1.12267139766E-04 8.75105839067E-05 6.78001337468E-05 5.22032681694E-05
3.99388364728E-05 3.03567544015E-05 2.29196151017E-05 1.71861803586E-05
1.27966887136E-05 9.45989374187E-06 6.94172770538E-06 5.05547289935E-06
3.65331399041E-06 2.61914373401E-06 1.86248029710E-06 1.31339736542E-06
9.18298179508E-07 6.36446870819E-07 4.37155712160E-07 2.97514326916E-07
2.00574906962E-07 1.33917723773E-07 8.85284588927E-08 5.79287440094E-08
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
0d 2 0.00 Wavefunction
7.84491523142E-10 8.44069997985E-10 9.08173180310E-10 9.77144700561E-10
1.05135433906E-09 1.13119985263E-09 1.21710925978E-09 1.30954308477E-09
1.40899682651E-09 1.51600361470E-09 1.63113706767E-09 1.75501436734E-09
1.88829956762E-09 2.03170715411E-09 2.18600587418E-09 2.35202285782E-09
2.53064805154E-09 2.72283898900E-09 2.92962592386E-09 3.15211735252E-09
3.39150595627E-09 3.64907499471E-09 3.92620518468E-09 4.22438210165E-09
4.54520414319E-09 4.89039109725E-09 5.26179336109E-09 5.66140186037E-09
6.09135872157E-09 6.55396875488E-09 7.05171180912E-09 7.58725606502E-09
8.16347233801E-09 8.78344946719E-09 9.45051087301E-09 1.01682323725E-08
1.09404613472E-08 1.17713373673E-08 1.26653143812E-08 1.36271845912E-08
1.46621041414E-08 1.57756207577E-08 1.69737034853E-08 1.82627746857E-08
1.96497444635E-08 2.11420477072E-08 2.27476839434E-08 2.44752602175E-08
2.63340372307E-08 2.83339789811E-08 3.04858061744E-08 3.28010536907E-08
3.52921324157E-08 3.79723957671E-08 4.08562112732E-08 4.39590375877E-08
4.72975073525E-08 5.08895163532E-08 5.47543194458E-08 5.89126337675E-08
6.33867497853E-08 6.82006507777E-08 7.33801413904E-08 7.89529859535E-08
8.49490573028E-08 9.14004969026E-08 9.83418871276E-08 1.05810436628E-07
1.13846179768E-07 1.22492191218E-07 1.31794816827E-07 1.41803922043E-07
1.52573159185E-07 1.64160255018E-07 1.76627320160E-07 1.90041181989E-07
2.04473742823E-07 2.20002365300E-07 2.36710287027E-07 2.54687066701E-07
2.74029064119E-07 2.94839956625E-07 3.17231294774E-07 3.41323100192E-07
3.67244508821E-07 3.95134463015E-07 4.25142456172E-07 4.57429333915E-07
4.92168156095E-07 5.29545124241E-07 5.69760579429E-07 6.13030075905E-07
6.59585536218E-07 7.09676494059E-07 7.63571431437E-07 8.21559217384E-07
8.83950655872E-07 9.51080151232E-07 1.02330750001E-06 1.10101981885E-06
1.18463361866E-06 1.27459703632E-06 1.37139223571E-06 1.47553799100E-06
1.58759246601E-06 1.70815620456E-06 1.83787534769E-06 1.97744509513E-06
2.12761342943E-06 2.28918512265E-06 2.46302604722E-06 2.65006781380E-06
2.85131276110E-06 3.06783932434E-06 3.30080781092E-06 3.55146661443E-06
3.82115889994E-06 4.11132979651E-06 4.42353413528E-06 4.75944477453E-06
5.12086155609E-06 5.50972094112E-06 5.92810637656E-06 6.37825944774E-06
6.86259187655E-06 7.38369842944E-06 7.94437080386E-06 8.54761256752E-06
9.19665522992E-06 9.89497553211E-06 1.06463140466E-05 1.14546951868E-05
1.23244487324E-05 1.32602329861E-05 1.42670596830E-05 1.53503207885E-05
1.65158173244E-05 1.77697903777E-05 1.91189544575E-05 2.05705333766E-05
2.21322988485E-05 2.38126120059E-05 2.56204680588E-05 2.75655443323E-05
2.96582519361E-05 3.19097913412E-05 3.43322121577E-05 3.69384774309E-05
3.97425327943E-05 4.27593808471E-05 4.60051611485E-05 4.94972362507E-05
5.32542842254E-05 5.72963981714E-05 6.16451932271E-05 6.63239216516E-05
7.13575965802E-05 7.67731251025E-05 8.25994513642E-05 8.88677104399E-05
9.56113937855E-05 1.02866527133E-04 1.10671861760E-04 1.19069080127E-04
1.28103016960E-04 1.37821896922E-04 1.48277590113E-04 1.59525886722E-04
1.71626792251E-04 1.84644844835E-04 1.98649456303E-04 2.13715278726E-04
2.29922598339E-04 2.47357758856E-04 2.66113616342E-04 2.86290027962E-04
3.07994377092E-04 3.31342137460E-04 3.56457479169E-04 3.83473919651E-04
4.12535022843E-04 4.43795150066E-04 4.77420266371E-04 5.13588806360E-04
5.52492603761E-04 5.94337889356E-04 6.39346362155E-04 6.87756339056E-04
7.39823988571E-04 7.95824654606E-04 8.56054276644E-04 9.20830913137E-04
9.90496375335E-04 1.06541797928E-03 1.14599042415E-03 1.23263780576E-03
1.32581577438E-03 1.42601384691E-03 1.53375788380E-03 1.64961274182E-03
1.77418511459E-03 1.90812657324E-03 2.05213682047E-03 2.20696717205E-03
2.37342428036E-03 2.55237411571E-03 2.74474622166E-03 2.95153826163E-03
3.17382087496E-03 3.41274286119E-03 3.66953671257E-03 3.94552451540E-03
4.24212424168E-03 4.56085645368E-03 4.90335144435E-03 5.27135683772E-03
5.66674567388E-03 6.09152500379E-03 6.54784501966E-03 7.03800874726E-03
7.56448232636E-03 8.12990590593E-03 8.73710518046E-03 9.38910359324E-03
1.00891352319E-02 1.08406584405E-02 1.16473701708E-02 1.25132210937E-02
1.34424314891E-02 1.44395079306E-02 1.55092607752E-02 1.66568224675E-02
1.78876666589E-02 1.92076281392E-02 2.06229235699E-02 2.21401729983E-02
2.37664221264E-02 2.55091652941E-02 2.73763691260E-02 2.93764967775E-02
3.15185327018E-02 3.38120078411E-02 3.62670251299E-02 3.88942851782E-02
4.17051119814E-02 4.47114784825E-02 4.79260317915E-02 5.13621178405E-02
5.50338052338E-02 5.89559080279E-02 6.31440071569E-02 6.76144702004E-02
7.23844691770E-02 7.74719960388E-02 8.28958755405E-02 8.86757751664E-02
9.48322118195E-02 1.01386555015E-01 1.08361026373E-01 1.15778695291E-01
1.23663470782E-01 1.32040089586E-01 1.40934100881E-01 1.50371848082E-01
1.60380448547E-01 1.70987772263E-01 1.82222421027E-01 1.94113710027E-01
2.06691654262E-01 2.19986962785E-01 2.34031044400E-01 2.48856029092E-01
2.64494810239E-01 2.80981113348E-01 2.98349597849E-01 3.16635999186E-01
3.35877319078E-01 3.56112072387E-01 3.77380599326E-01 3.99725451873E-01
4.23191862964E-01 4.47828306353E-01 4.73687153787E-01 5.00825434217E-01
5.29305697084E-01 5.59196978095E-01 5.90575861299E-01 6.23527625547E-01
6.58147456571E-01 6.94541697960E-01 7.32829105474E-01 7.73142059761E-01
8.15627683381E-01 8.60448800167E-01 9.07784670338E-01 9.57831435883E-01
1.01080222148E+00 1.06692686146E+00 1.12645126912E+00 1.18963653779E+00
1.25675796873E+00 1.32810435991E+00 1.40397805261E+00 1.48469638502E+00
1.57059527044E+00 1.66203545050E+00 1.75941129672E+00 1.86316035959E+00
1.97376920436E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
2.73071921521E-06 2.86728437332E-06 3.01067933588E-06 3.16124567928E-06
3.31934206330E-06 3.48534508054E-06 3.65965016594E-06 3.84267253114E-06
4.03484815526E-06 4.23663482359E-06 4.44851321835E-06 4.67098806412E-06
4.90458933052E-06 5.14987349512E-06 5.40742486951E-06 5.67785699176E-06
5.96181408855E-06 6.25997261046E-06 6.57304284412E-06 6.90177060505E-06
7.24693901521E-06 7.60937036955E-06 7.98992809594E-06 8.38951881329E-06
8.80909449260E-06 9.24965472633E-06 9.71224911123E-06 1.01979797506E-05
1.07080038819E-05 1.12435366356E-05 1.18058539326E-05 1.23962955266E-05
1.30162681986E-05 1.36672491120E-05 1.43507893352E-05 1.50685175406E-05
1.58221438897E-05 1.66134641120E-05 1.74443637888E-05 1.83168228516E-05
1.92329203055E-05 2.01948391903E-05 2.12048717893E-05 2.22654251001E-05
2.33790265791E-05 2.45483301744E-05 2.57761226612E-05 2.70653302952E-05
2.84190257995E-05 2.98404357023E-05 3.13329480430E-05 3.29001204647E-05
3.45456887136E-05 3.62735755649E-05 3.80879001965E-05 3.99929880350E-05
4.19933810950E-05 4.40938488387E-05 4.62993995820E-05 4.86152924729E-05
5.10470500737E-05 5.36004715756E-05 5.62816466785E-05 5.90969701696E-05
6.20531572366E-05 6.51572595516E-05 6.84166821665E-05 7.18392012599E-05
7.54329827788E-05 7.92066020215E-05 8.31690642085E-05 8.73298260935E-05
9.16988186647E-05 9.62864709956E-05 1.01103735301E-04 1.06162113260E-04
1.11473683678E-04 1.17051131541E-04 1.22907778550E-04 1.29057615204E-04
1.35515334509E-04 1.42296367403E-04 1.49416919978E-04 1.56894012604E-04
1.64745521040E-04 1.72990219640E-04 1.81647826766E-04 1.90739052526E-04