Dear Paolo Giannozzi
I think that the LDA+1/2 method is not implemented for PAW, because when
i made another lda-1/2 test for USPP pseudopotential for Sb atom, it worked
normally without any segmentation fault. However, iam interested in the PAW
pseudopotential!!!! Is there any solution to correct the band gap calculated
with this type of pseudopotential?
In addition, in the last message you posted, you've said that there were an
error which occurs in the line 227 of file export_upf.f90:
if(lpaw) qvanl(1:grid%mesh,:,:,:) = pawsetup%augfun(1:grid%mesh,:,:,:)
How to correct this error?
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