Hello all,
I'm trying to perform a COOP for several binary, transition metal alloys. I have the PROOUT file generated with RWIGS and LORBIT=2. Looking in the file I don't see any atomic orbital information. Actually, the layout of the file is a bit confusing and the VASP manual was quite terse on the subject. A 2 hour Google session didn't get me too far either. If anyone has any information on how to process the PROOUT file to extract COOP information it would be greatly appreciated.
Thanks
Extracting COOP information from a PROOUT file
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biklooost
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Extracting COOP information from a PROOUT file
Last edited by biklooost on Fri Jun 17, 2005 9:55 pm, edited 1 time in total.
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support_vasp
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Re: Extracting COOP information from a PROOUT file
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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