[Wien] help on input file for running LDA+U or Orbital polarization
Xueyuan Wu
xwu at uta.edu
Tue Jan 13 22:40:13 CET 2004
Dear Professor,
I'm wondering if you could provide some examples of case.indm, case.inorb. I
modified the two templates from the SRC_templates for my system, but it did
not work. The program asked for case.indmc. I'm wondering if case.indmc is
same as case.indm, as I don't see an example for it.
Below is the error message from the dayfile.
lapw1 -up (17:24:35) 10.93u 0.50s 0:13 84% 0+199k 837+797io 0pf+0w
> lapw1 -dn (17:24:49) 10.82u 0.50s 0:13 85% 0+198k 804+778io
0pf+0w
> lapwso -up -orb (17:25:04) 12.68u 1.20s 0:22 61% 0+43k 6018+5963io
0pf+0w
> lapw2 -c -up -so (17:25:28) 9.79u 0.56s 0:11 87% 0+64k 248+205io
0pf+0w
> lapw2 -c -dn -so (17:25:41) 9.79u 0.56s 0:12 80% 0+64k 235+230io
0pf+0w
> lapwdm -up -so -c (17:25:55) 0.09u 0.06s 0:00 17% 0+7k 8+6io 0pf+0w
> stop error
~
Error message from uplapwdm.error:
Error in LAPW2DM
Thank you very much for your help.
Xueyuan Wu
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