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Dear Robert:<BR>
Thank you very much. <BR>
But I see the case.in0 file. <BR>
TOT 11 (5...CA-LDA, 13...PBE-GGA, 11...WC-GGA)<BR>NR2V IFFT (R2V)<BR> 30 30 270 2.00 min IFFT-parameters, enhancement factor<BR>
<BR>
It has not be the switch?<BR>
<BR>
<BR>
Sincerely yours<BR>
<BR>
Cai<BR><BR> <BR>> From: rolask@theochem.tuwien.ac.at<BR>> To: wien@zeus.theochem.tuwien.ac.at<BR>> Date: Tue, 21 Jul 2009 09:18:41 +0200<BR>> Subject: Re: [Wien] How to calculate the electrostatic potential ?<BR>> <BR>> Hi,<BR>> you can generate it with lapw0, use corect switch in the first line of in0, it is in manual.<BR>> <BR>> regards<BR>> <BR>> Robert<BR>> <BR>> On Tuesday 21 July 2009 05:08:23 蔡孟秋 wrote:<BR>> > <BR>> > Dear wien user:<BR>> > <BR>> > I want to get the electrostatic potential in a crystal along the z-axis. Please tell me how to di it. Thank you in advance!<BR>> > <BR>> > <BR>> > <BR>> > MengQiu Cai<BR>> > <BR>> > _________________________________________________________________<BR>> > 与任何您希望的人分享您的回忆。<BR>> > http://www.microsoft.com/china/windows/windowslive/products/photos-share.aspx?tab=1<BR>> <BR>> <BR>> <BR>>!
; -- <BR>> Dr Robert Laskowski<BR>> <BR>> Vienna University of Technology, <BR>> Institute of Materials Chemistry, <BR>> Getreidemarkt 9/165-TC, A-1060 Vienna<BR>> <BR>> tel. +43 1 58801 15686<BR>> Fax +43 1 58801 15698<BR>> _______________________________________________<BR>> Wien mailing list<BR>> Wien@zeus.theochem.tuwien.ac.at<BR>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR><br /><hr />搜索本应是快乐的，不是么? 快乐搜索，有问必应！微软隆重推出! <a href='http://bing.com.cn?FORM=M00HCN&Publ=WLHMTAG&Crea=TEXT_Search_Where_You_Are_1X1' target='_new'>立即试用！</a></body>
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