<html><head></head><body><div class="ydp214a4843yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div dir="ltr" data-setdir="false">Dear Users, <br><br>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?<br><br><span> | CALL g_psi( npwx, npw, notcnv, 1, psi(1,nb1), ew(nb1) )</span> <br><br>I thought the correction vectors, |psi> = (<span>H - e*S) |psi>,</span> were already stored in psi, so there is no need to do any inversion or anything else. <br><br>Also, running a 1processor calculation, the normalization goes through line 299:<br> <br><span> | IF ( gstart == 2 ) ew(n) = ew(n) - psi(1,nbn) * psi(1,nbn)<br></span><br>What is the purpose of substrating the psi product of the first element on each of the new vectors?<br><br>Thanks so much for your help! <br><br>Carlos </div></div></body></html>