External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)
Moderators: ebousquet, bxu
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hicpalm
- Posts: 44
- Joined: Tue Feb 09, 2010 4:33 pm
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by hicpalm » Thu Sep 30, 2010 10:30 am
hello everybody,
I am looking for a possibility to get an atomic dataset, with PAW method, for a virtual atom to be used in the virtual crystal approximation.
thanks.
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gmatteo
- Posts: 291
- Joined: Sun Aug 16, 2009 5:40 pm
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by gmatteo » Thu Oct 14, 2010 2:40 pm
Sorry but the present PAW implementation doesn't support the virtual crystal approximation.
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hicpalm
- Posts: 44
- Joined: Tue Feb 09, 2010 4:33 pm
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by hicpalm » Thu Oct 21, 2010 10:34 am
thank you gmatteo.
