Skip to Content.
Sympa Menu

forum - Re: Re: [abinit-forum] accurate acell and structure of hydrogen

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: Re: [abinit-forum] accurate acell and structure of hydrogen


Chronological Thread 
  • 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




Archive powered by MHonArc 2.6.16.

Top of Page