From 0e53ebf33b6ca80b842735d139296f2fb0c3d01b Mon Sep 17 00:00:00 2001 From: Nick Papior Date: Tue, 4 Dec 2018 12:37:28 +0100 Subject: [PATCH] updated comment in TS_04 Signed-off-by: Nick Papior --- TS_04/run.ipynb | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/TS_04/run.ipynb b/TS_04/run.ipynb index 1525697..fabb4b8 100644 --- a/TS_04/run.ipynb +++ b/TS_04/run.ipynb @@ -61,9 +61,10 @@ "source": [ "## Exercises\n", "\n", + "- Run the two electrodes (`RUN_ELEC_X/Y.fdf`).\n", "- Run the TranSiesta analyzation step (see fdf flag: `TS.Analyze`) and determine the optimal pivoting scheme used. \n", " If you are interested you may try to use the worst pivoting scheme and see if it affects the execution time (however this system is very small so the time difference may be very small).\n", - "- After analyzation, run the electrodes (`RUN_ELEC_X/Y.fdf`) and then the device (`RUN.fdf`).\n", + "- After analyzation and adding the resulting pivoting scheme to `RUN.fdf`; run the device (`RUN.fdf`).\n", "- Try and extract similar data as done in [TB 6](../TB_06/run.ipynb). At least plot one of the DOS quantities.\n", "- Extend your DOS plot to be *orbitally resolved* by extracting only subsets of DOS, in this regard also play with the `norm` keyword, try and plot the DOS per $s$, sum of $p$, etc. for the orbitals on the Carbon atoms.\n", "\n",