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<DIV><FONT color=#000000 size=3 face=宋体>Dear Paolo
Giannozzi,</FONT></DIV>
<DIV> Thank you for your reply !I have tried your method,it
become better !</DIV>
<DIV> Best wish!</DIV>
<DIV> </DIV>
<DIV align=left><FONT color=#c0c0c0 size=2 face=Verdana>2014-03-21</FONT></DIV>
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<DIV align=left><FONT color=#c0c0c0 size=2 face=Verdana><SPAN
id=_FlashSignName>yjunwei2012</SPAN></FONT></DIV>
<DIV><FONT size=2 face=Verdana>
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<DIV><FONT size=2 face=Verdana><STRONG>发件人：</STRONG>Paolo Giannozzi
<paolo.giannozzi@uniud.it></FONT></DIV>
<DIV><FONT size=2
face=Verdana><STRONG>发送时间：</STRONG>2014-03-20 23:33</FONT></DIV>
<DIV><FONT size=2 face=Verdana><STRONG>主题：</STRONG>Re: [Pw_forum]
(无主题)</FONT></DIV>
<DIV><FONT size=2 face=Verdana><STRONG>收件人：</STRONG>"PWSCF
Forum"<pw_forum@pwscf.org></FONT></DIV>
<DIV><FONT size=2 face=Verdana><STRONG>抄送：</STRONG></FONT></DIV>
<DIV><FONT size=2 face=Verdana></FONT> </DIV>
<DIV><FONT size=2 face=Verdana>
<DIV>On Thu, 2014-03-20 at 20:28 +0800, yjunwei2012 wrote: </DIV>
<DIV> </DIV>
<DIV>> Error in routine bands (1): </DIV>
<DIV>> gamma_only case not implemented </DIV>
<DIV> </DIV>
<DIV>> I have tried to install the espresso-5.0.2-5.0.3.diff, and displaced </DIV>
<DIV>> the /PP/scr/bands.f90 file </DIV>
<DIV>> </DIV>
<DIV>> "IF (gamma_only) CALL errore('bands','gamma_only case not </DIV>
<DIV>> implemented',1)" after the line "CALL read_file()", </DIV>
<DIV>> </DIV>
<DIV>> but in vain. </DIV>
<DIV> </DIV>
<DIV>...and recompiled as well? then you are trying to plot data produced </DIV>
<DIV>using Gamma-only tricks, i.e. using for k-points the following card: </DIV>
<DIV>K_POINTS Gamma </DIV>
<DIV>and this is not implemented </DIV>
<DIV> </DIV>
<DIV>P. </DIV>
<DIV> </DIV>
<DIV>-- </DIV>
<DIV>Paolo Giannozzi, Dept. Chemistry&Physics&Environment, </DIV>
<DIV>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy </DIV>
<DIV>Phone +39-0432-558216, fax +39-0432-558222 </DIV>
<DIV> </DIV>
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