Where is overlap matrix, S, gets stored. Can we get them in output? PJ
-----Original Message----- From: [email protected] on behalf of Paolo Giannozzi Sent: Mon 2/15/2010 9:06 AM To: PWSCF Forum Subject: Re: [Pw_forum] wave function coefficients Johari, Priya wrote: > It seems that the wavefunction coefficients are not normalized sure they are. For US PP and PAW, <\psi|S|\psi> is normalized Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: application/ms-tnef Size: 2770 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20100215/9f89b144/attachment.bin
