[Pw_forum] problem with gradient-corrected PP's

[Eyvaz Isaev]

Hi,
 
> i am trying to use gradient-corrected pseudo
> potentials for O in TiO2. 
> according to the INPUT_PW file , the XC functional
> is read from PP's file 
> .so why do i have this error among an scf
> calculation :
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from readpp : error #         2
>      inconsistent DFT read
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
It is very famous error message (please have a look at
the forum archive) and means that you try to use
pseudopotentials with different XC-functionals. 
As example for Ti you use PBE XC-functional, but for
O- LDA based PsP. Use PsPs with the same
XC-functional.

Bests,
Eyvaz.

 

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