[Wien] coefficients of PW-expansion
fatemeh.mirjani
f_mirjani at ph.iut.ac.ir
Mon Mar 10 12:03:02 CET 2008
Dear users;
for extracting the coefficients of PW-expansion in the interstitial area I read in mailing list that we should put WFPRI to case.in1 and it will print them into case.output1 .
but I couldn't understand from this output where are these coefficients?
another way is reading them from vector files. For the format we should look at the
lapw1 for writting. How should I change the format?
Any help is appreciated.
--
Best Regards
Fatemeh Mirjani
Computational Condensed Matter Research Lab.
Affiliated ICTP Center,
Physics Department, Isfahan University of Technology, Iran
Email: f_mirjani at ph.iut.ac.ir
Tel/Fax Office: +98311-3913746
Tel Lab.: +98311-3913731
Mobile: +98913-2111369
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