[Wien] After SO band structure calculation error
santu baidya
santubaidya2009 at gmail.com
Wed Nov 3 08:06:24 CET 2010
Dear all ,
I am calculating the SO calculation of a double
perovskite compound using wien2k package. I have done the all the steps
according to userguide. I had made case.klist_band from xcrysden. I have run
x lapw1 -up -band
x lapw1 -dn -band
x lapwso -up -band
After last run I am getting the following error
{ ERROR IN OPENING UNIT: 9
FILENAME:
./LCMO.vectordn
STATUS: old FORM:unformatted
OPEN FAILED
0.001u 0.000s 0:00.08 0.0% 0+0k 0+0io 14pf+0w}
I donot understand what is the difficulty in running if all inputs are
correct. Could u please give me any suggestion to overcome the difficulty.
Thanks.
Santu Baidya
SNBNCBS,JRF
KOLKATA
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