[QE-users] Some questions about regterg

[carlossiero siero]

Dear Users, 

I have been digging in the regterg.f90 subroutine and I was wondering if somebody could tell me what the calling to g_psi (line 286) is doing?

                |     CALL g_psi( npwx, npw, notcnv, 1, psi(1,nb1), ew(nb1) ) 

I thought the correction vectors, |psi> = (H - e*S) |psi>, were already stored in psi, so there is no need to do any inversion or anything else. 

Also, running a 1processor calculation, the normalization goes through line 299:
 
                |      IF ( gstart == 2 ) ew(n) = ew(n) - psi(1,nbn) * psi(1,nbn)

What is the purpose of substrating the psi product of the first element on each of the new vectors?

Thanks so much for your help! 

Carlos 
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