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- From: Masayoshi Mikami <mmikami@yk.rim.or.jp>
- To: forum@abinit.org
- Subject: Re: Re: [abinit-forum] accurate acell and structure of hydrogen
- Date: Sat, 13 Dec 2003 14:39:36 +0900
Dear Zhenhua Zeng:
You might want to be back with your input files
and explanation on which pseudopotentials were
adopted for your calculations ...
I think that H-solid and He-solid should have difficulties...
(They should be problems in the present DFT, rather than in ABINIT)
But for Li-solid and Be-solid, there might be some reasons
in your input/pseudopotentials...
One cannot post replies, just by relying on one's "guess"
on what you did ... And also, please read the following FAQ:
- Why do my ABINIT results differ from experimental results ?
( http://www.abinit.org/ABINIT/Infos/FAQ.htm#Difference )
Regards,
Masayoshi
- Re: [abinit-forum] accurate acell and structure of hydrogen, zeng zhenhua, 12/13/2003
- Re: Re: [abinit-forum] accurate acell and structure of hydrogen, Masayoshi Mikami, 12/13/2003
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