[Pw_forum] About zero point energy

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[Pw_forum] About zero point energy

oni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me

[Pw_forum] Request for Pseudopotentials Si and H

On Sat, August 15, 2009 08:35, Stefano Baroni wrote: > http://www.quantum-espresso.org/pseudo/1.3/UPF/Si.pz-vbc.UPF > http://www.quantum-espresso.org/pseudo/1.3/UPF/H.pz-vbc.UPF > > SB > As a more general hint: habe a look here: -- Lorenzo Paulatt

[Pw_forum] question about PWCOND

Dear Alexander and PWSCF users, I have a question about an expression in the scatter_forw.f90 subroutine, specifically about the following expression - IF (ABS(AIMAG(zk(lam, kp))).LT.eps) THEN f1(lam,iorb)=-ezk(lam)*CONJG(di(iorb,lam))*zk2(lam) f2(lam,iorb)=-ezk(lam)*CONJG(