[Wien] problem in analysis function
Dong Su
Dong.Su at asu.edu
Thu Feb 14 09:18:24 CET 2008
Dear Wien2k users:
I got a problem in using analysis function in Wien2k.(V 7.3)
I am calculating a ABO3 super cell in parallel mode with 32 nodes. The unit cell has 160 atoms.
I tried to use analysis to see the "ENE FER DIS NEC-new NEC-old MMTOT" from case.scf file but have not got any result.
In the SCF files,I only found:
case.scf0;
case.scf1;
case.scf1-1;
case.scf1-2;
case.scf2
case.scf2p
case.scfc
case.scfm
In each scf file, I do not find any :ENE or other phrase.
Does it look normal?
Could you please tell me the possible problem there?
Dong SU,Ph.D
Dept. Of Physics, Arizona State University
P.O. Box 871504
Tempe, Arizona 85287-1504
Phone: 480-965-6327
Fax: 480-965-7954
E-mail: dong.su at asu.edu
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