I want to creat new psudopotential files, suggesting in PRB 73, 235116(2006) as the WC like funtional, which are enhanced revision of PBE psudopotential giving better description for ferroelectric materials.
The form of exchange energy of electons would be modified.
Of course the new psudopotential file is expected to be a recognlizable file by VASP.5.2, namely, a valid POTCAR file.
Please give me some operating instructions.
thank you.
How to creat my own psudopotential file?
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KurtG
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How to creat my own psudopotential file?
Last edited by KurtG on Tue Apr 13, 2010 2:20 am, edited 1 time in total.
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admin
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How to creat my own psudopotential file?
sorry, the package for the pseudopotential generation is not distributed, without exception.
Last edited by admin on Tue Apr 13, 2010 3:15 pm, edited 1 time in total.
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ider
How to creat my own psudopotential file?
<span class='smallblacktext'>[ Edited Tue Jun 14 2011, 06:32PM ]</span>
Last edited by ider on Tue Jun 14, 2011 6:31 pm, edited 1 time in total.