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- From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] the PAW atomic data and alchemical
- Date: Sat, 12 May 2007 07:20:30 +0200
On 11 May 2007, at 12:24, tianmiao8287@163.com wrote:
Dear forumC
I have a problem.I don't konw if the PAW atom data could instead of other pseudopotentials for alchemical purpose.Could I use the PAW atomic data when calculating alchemical problems?Thanks a lot for your time!
Best WishesI
tian
Dear Tian,
The alchemical mixing of PAW pseudos is not available ...
Xavier
- the PAW atomic data and alchemical, tianmiao8287, 05/11/2007
- Re: [abinit-forum] the PAW atomic data and alchemical, Xavier Gonze, 05/12/2007
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