[Pw_forum] occupation problem when system changes from insulator to metal

W. YU yuwen_66 at yahoo.com
Wed Dec 15 07:43:16 CET 2004

Thanks to sbraccia carlo, pw_forum at pwscf.org for
answering my questions and Nicola Marzari (I have
downloaded your thesis). It seems the smearing I used
is too large, I changed it to 0.01, now the results
are similar to those without smearing. I will further
check the convergence.

By the way, how can I put my replies to the same
thread of my former question?

Best regards,

W. Yu

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