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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Hello everyone,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> I am calculating PDOS of an insulator. In the initial SCF, keyword ‘nbnd’ is not specified. A NSCF calculation, still without ‘nbnd’ keyword, is done to get Fermi level. And in the later PDOS calculation, no band above Fermi level is showed. If I need to show some bands above Fermi level, from where should I restart my calculation? Is it necessary to rerun SCF with a large ‘nbnd’ or there are some quicker way to do it ?<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> Thanks.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>------------------------------------<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>Wu F,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>College of Chemistry and Molecular Engineering,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>Peking University.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>------------------------------------<o:p></o:p></span></p></div></body></html>