[Wien] a regular klist
fatemeh.mirjani
f_mirjani at ph.iut.ac.ir
Fri Sep 26 18:10:20 CEST 2008
Dear Prof. Blaha;
I have to run WIEN2k with a regular klist .for example with a 4*4*4 mesh I will have 64 kpoints.
I wrote a program which can produce this klist.
Also when I want to run the sample, I change the TERTA switch to TEMP.
Now I want to know is this method has any effect on the data of case.almblm, case.radwf and case.output1?
I suspect to the results of these files.
Thanks in advance,
Fatemeh
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|Fatemeh Mirjani | Email: f_mirjani at ph.iut.ac.ir |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
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