Maybe it is a spin-polarized case ?
Then you have to edit optimize.job and execute runsp_lapw
instead of run_lapw.
Am 06.11.2011 05:39, schrieb ??:
Thanks. I have drawn the band structure following your advice.
Here is another problem I met. It is my first time to do volume optimization
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Sup how are you? i've never seen this you need to take this into consideration
http://t.co/dlRAwmwq
.
thanks for your help
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