[Wien] take long time to plot DOS or electron density result.

4.4 Thank you! Donghui GUO University of Tsukuba, Japan -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100805/d7bc7552/attachment.htm

[Wien] How to fix the position of atoms in the slab

Dear Wien2k users, I am calculating a slab to simulated the surface. I want to relax the slab with fixing the inner layer. I searched the mailing list but didn't figure out how to do it technically. Thank you in advanced. Best regards, D.H. Guo Hokkaido University -- next part

[Wien] How to fix the atoms of slab during mini

Dear Wien2k users, I am calculating a slab to simulated the surface. I want to relax the slab with fixing the inner layer. I searched the mailing list but didn't figure out how to do it technically. Thank you in advanced. Best regards, D.H. Guo Hokkaido University -- next part

[Wien] How to save time after modified structure?

regards, Yours, Donghui Guo 2008-10-20 Donghui Guo Catalysis Research Center (CRC) Hokkaido University 21-10 Kita, Sapporo 001-0021 Japan dhguo at cat.hokudai.ac.jp TEL: +81-11-706 9114 (office) **

[Wien] Mulliken population

Dear all, Is there anyone can tell how to check/calculate Mulliken population? I didn't find it in usersguide. Thank you! Best regards, Yours, Donghui Guo 2008-10-16 Donghui Guo Catalysis Research Center (CRC) Hokkaido University 21-10

[Wien] strange electron density image

or space to show image. Thank you for your help. Best regards, Yours, Donghui Guo 2008-10-09 Donghui Guo Catalysis Research Center (CRC) Hokkaido University 21-10 Kita, Sapporo 001-0021 Japan dhguo at cat.hokudai.ac.jp TEL: +81-11-706 9114

[Wien] different TiC Fermi energy in bandstructure

that in usersguide. Would you please tell me the reason? Thank you! Best regards, Yours, Donghui Guo 2008-09-29 Donghui Guo Catalysis Research Center (CRC) Hokkaido University 21-10 Kita, Sapporo 001-0021 Japan dhguo at cat.hokudai.ac.jp TEL: +81-11-706

[Wien] Why ONLY bandstructure can give theimage? --Howto create the link between wien2k and gnuplot?

Dear Prof. Fecher, Thank you for your guidance. If I can find the solution, I will announce here. Thank you. Best regards, Yours Donghui Guo 2008-09-24 === At 2008-09-22, 16:06:31 you wrote: === next possibillity is that some library that is needed to convert the graphics

[Wien] Why ONLY bandstructure can give the image? --How to create the link between wien2k and gnuplot?

= qx(cd $DIR;gnuplot $tmp 21); xspec.pl: $umps = qx(cd $DIR;gnuplot $tmp1 21); *** Best regards, Yours Donghui Guo 2008-09-21 === At 2008-09-19, 16:28:22 you wrote: === Dear Donghui, I have no real experience about your problem

[Wien] Why ONLY bandstructure can give the image?

for bandstructure- spaghetti, but I cannot open it with gedit, so I don't know how this program load the gnuplot. How can I get the calculated image successfully? Thank you for your help. Best regards, Yours, Donghui Guo 2008-09-19 Donghui Guo

[Wien] Why ONLY bandstructure can give the image?

specplot for XSpec. So, my problem seems to be that the w2web cannot load gnuplot successfully. Do you have any idea about this? Thank you for your help. Best regards, Yours Donghui Guo 2008-09-19 === At 2008-09-19, 15:28:14 you wrote: === Dear Donghui, The file you need

[Wien] How to install gnuplot and ghostscript

Dear all wien2k user, When I want to plot DOS of TiC, it shows an icon and a sentence Download hardcopy in PostScript format. I have downloaded the gnuplot and ghostscript softwares, how can I install them properly? Any help is highly appreciated. Best regards, Yours, Donghui Guo 2008-09-16