[Pw_forum] problem with gradient-corrected PP's

Ezad Shojaee ezadshojaee at hotmail.com
Sat May 27 10:56:01 CEST 2006


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
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

any suggestion will be appreciated

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