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<i>Dear Paolo Giannozzi </i></div>
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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?</div>
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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:
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if(lpaw) qvanl(1:grid%mesh,:,:,:) = pawsetup%augfun(1:grid%mesh,:,:,:)</div>
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How to correct this error? <br>
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