[Wien] nHOw to accelerate the caculation?
Torsten Andersen
thor at physik.uni-kl.de
Thu Jul 24 13:06:37 CEST 2003
Li Yonghua wrote:
> Dear Wien user,
>
> I am caculating the relaxation of surface, I use a 22 stoms
> supercell. The caculation is so large, I want to ask, are there any
> method to accelerate this caculation?
>
> Yonghua Li
>
> -------------------------------------------------------------------
>
> Address: National Synchrotron Radiation Laboratory, HeFei,
> AnHui,ChinaPHone: 086-0551-3602087
> ------------------------------------------------------------------
>
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You may also rely on other program packages, like vasp, to do the
relaxation. Of course you then need to test whether this relaxed
structure is also relaxed in Wien.
Best regards,
Torsten Andersen.
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