Dear All, Would you please let me know if the kohen -sham?orbitals ,which are obtained by pp.x,? are normalized, orthogonalized or orthonormalized? Regards Fariba Nazari IASBS -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120828/6a1a252f/attachment.htm
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