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<body class='hmmessage'><BR><FONT size=3>Dear Paolo:</FONT><BR>
<FONT size=3> Thank you! It seems that the problems are solved with your suggestions! <BR>> <BR>> > K_POINTS (automatic)<BR>> > 2 2 2 0 0 0<BR>> <BR>> cp.x doesn't know about k-points: it uses the Gamma<BR>> point (k=0) no matter what. Unfortunately it looks like<BR>> the presence of the above instructions confuses cp.x<BR>> in some serious way (hint: look at the electronic charge<BR>> printed on output, it is approx. half what it should be).<BR> The system I concerned is Si64B, which has 259 electrons. The electron information printed in output is<BR>"Number of Electron 259, of States 130". So I don't know how to understand your hints? Some confusion happens on me again? <BR>> Just remove the two cards above.<BR> I did it. The cp.x works well.<BR>> This is already fixed in the version under development.</FONT><BR>
<FONT size=3> As a cp novice, I benfit much from your humor :-) and your advice! I will contiune the next step on cp learning and calculation! <BR> <BR> Thanks again!<BR> Best wishes!<BR> <BR> shangyi<BR> Graduate school of China academy of science<BR> </FONT><BR><br /><hr />使用新一代 Hotmail，更强大、更安全、更多存储空间！ <a href='http://mail.live.com' target='_new'>立刻体验！</a></body>
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