Queries about input and output files, running specific calculations, etc.
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goja25
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#1
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by goja25 » Tue Nov 17, 2009 9:53 am
Hi,
I wanted to ask you where in the PAW POTCAR file I can find information about spin-orbit coupling? Is there any parameter in the POTCAR file which discribes spin-orbit coupling? Please answer.
Thank you.
Margo
Last edited by
goja25 on Tue Nov 17, 2009 9:53 am, edited 1 time in total.
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panda
#2
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by panda » Sat Nov 21, 2009 11:35 pm
Last edited by panda on Sat Nov 21, 2009 11:35 pm, edited 1 time in total.
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goja25
- Newbie
- Posts: 12
- Joined: Fri Sep 28, 2007 12:40 pm
- License Nr.: 974
#3
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by goja25 » Thu Nov 26, 2009 1:21 pm
Thank you for answer but my question was: where in the POTCAR file is information about s-o coupling?
Last edited by
goja25 on Thu Nov 26, 2009 1:21 pm, edited 1 time in total.