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<BODY style="font-family:'Times New Roman'; font-size:13px"><DIV>Dear Mohsen, </DIV><DIV>Actually, I'm doing NSCF calculation (I'm running pw.x MoS2.bands.in). I've tried to change "calculation='bands'" to "calculation='nscf'" and it doesn't affect band structure.</DIV><DIV>Regards,</DIV><DIV>Koroteev Victor<BR><BR><BLOCKQUOTE style="margin: 0 0 0.80ex; border-left: #0000FF 2px solid; padding-left: 1ex">Hi Vit<BR>Have you done NSCF calculation in given direction?<BR>Mohsen Modaresi <BR><BR><BR><BR><BR><DIV class="gmail_quote">On Fri, Apr 23, 2010 at 11:16 AM, Vit <SPAN dir="ltr"><<A href="mailto:vitruss@gmail.com">vitruss@gmail.com</A>></SPAN> wrote:<BR>
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<DIV style="font-family: 'Times New Roman'; font-size: 13px;"><DIV>Dear, all!</DIV><DIV>I'm trying to reproduce MoS2 band structure from [1], but it seems to be really different!</DIV><DIV>I've double checked all the input, but nothing helps. Could you please point me where am I wrong?</DIV>
<DIV>Band file, reference band structure and my computations are attached.</DIV><DIV>With best regards, </DIV><DIV>Koroteev Victor</DIV><DIV>PhD student,</DIV><DIV>NIIC SB RAS</DIV><DIV><BR><BR></DIV>
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