From c20369eecf339e443333a3e4d36db655f70070ee Mon Sep 17 00:00:00 2001 From: Weine Olovsson Date: Thu, 11 Apr 2024 19:59:35 +0200 Subject: [PATCH] Update fcc_Ni_rev.md --- content/fcc_Ni_rev.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/content/fcc_Ni_rev.md b/content/fcc_Ni_rev.md index dc85a0a..84fa733 100644 --- a/content/fcc_Ni_rev.md +++ b/content/fcc_Ni_rev.md @@ -127,11 +127,11 @@ and press `G` (that is `shift` `g`) to go to the end (quit with `q`). It looks l ### 2. Non-collinear calculation -In the case of a non-collinear calculation, the magnetic moment will be allowed to point in three dimensions. Now, go back to the main folder "fcc_Ni_rev", create a new folder "nonc" and copy relevant files +In the case of a non-collinear calculation, the magnetic moment will be allowed to point in three dimensions. Now, go back to the main folder "fcc_Ni_rev", create a new folder "noncol" and copy relevant files - mkdir nonc + mkdir noncol cp INCAR POSCAR POTCAR KPOINTS run.sh nonc - cd nonc + cd noncol For non-collinear calculations, one needs to change INCAR, comment out the two lines for the collinear calculations