[Pw_forum] Fwd:

潘登 panda.deng.pan at gmail.com
Tue Mar 3 13:01:42 CET 2009


Hi Asha,

> ATOMIC_SPECIES
> Mn 54.94   Mn.pbe-sp-van.UPF
> Ce 140.116  Ce_lda_sc.UPF
> O  16.00    O.pz-rrkjus.UPF

>
>  Is there some problem with pseudopotential file??

yes.You must have the same pseudopotential file.Like they are all pbe
or pw or others.



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