[Pw_forum] mixing pseudopotentials using virtual.x

Emine Kucukbenli kucukben at sissa.it
Fri May 20 01:20:50 CEST 2011

Dear user,

Not an expert on the issue, but from what i see, these  
pseudopotentials are generated using Vanderbilts's code, where you can  
use some taylor expansion to pseudize the augmentation charge and i  
guess nqf stands for how many terms in the expansion are hold.
Apparently the pseudopotentials you are using use different numbers of  
nqf (6 and 8) and quoting the error message

"(mixing of?) different nqf are not implemented (yet) "

The "yet" at the end gives some hope though.Let's hear from the developers.
In the meanwhile you can use some ld1 generated pseudopotentials,  
where this expansion is not supported as far as i know... or try to  
find/generate ones with the same number of nqf obviously..

Please sign your posts with your name and affiliation.
emine kucukbenli, phd student, sissa, italy

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