Dear Salvador, Thanks for your advice, I solved the problem using siesta 3.0 and enclosed denchar as you told. Sincerely, Tao He
发件人： Barraza-lopez, Salvador 发送时间： 2010-10-10 13:00:03 收件人： siesta-l 抄送： 主题： Re: [SIESTA-L] Wavefunction plot at k-point other than Gamma Hi, If you have siesta 3.0, you can use DENCHAR to plot them. It is found in the Util directory. Denchar will produce a number of files for you: Norm and phase of wavefunctions, real and imaginary parts, and so on... it works for any k-point. Once you run denchar, you can plot them using any program that reads cube format files. I use VMD but there a large number of packages available for this purpose. Cheers, -Salvador. ----- Original Message ----- From: "taoohee" <[email protected]> To: "siesta-l" <[email protected]> Sent: Friday, October 8, 2010 6:38:49 AM GMT -05:00 US/Canada Eastern Subject: [SIESTA-L] Wavefunction plot at k-point other than Gamma Dear All: How to plot the wavefuction isosurface at the k-points other than Gamma? Seems somebody has talked about this in mail-list, but I can't open the link in google. Any suggestion is appreciated! Thanks! 2010-10-08 taoohee
