[Pw_forum] wave function coefficients

[Johari, Priya]

Where is overlap matrix, S, gets stored. Can we get them in output?

PJ

-----Original Message-----
From: pw_forum-bounces at pwscf.org 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
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