[Wien] The band structure of CuAlO2- SG 166

of Physics, Faculty of Science* *Taibah University, A-Madinah Al-Munawarh, K. Saudi Arabia * * * -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120303/b4ded729/attachment.htm

[Wien] LAPW2C stop

halo I am use wien 10 in calcule Properties simpel of SrTiO3 the code is calcule but in calcule a (Ni doped srtio3)?? I use 40 atoms the LAPW2C not finished (he running 3 day ) the file structure is SrTiO3Ni??? P??

[Wien] how to choose the plane for plotting Electron Density without XCRYSDEN

Dear all, I try to select a plane and plot the electron density, however, there is no XCRYSDEN installed on the supercomputer center. I checked UG (p.22 and p.119), and only found something like (100) plane being chosen by TiC.in5 file as: -1 -1 0 4 -1 3 0 4 3 -1 0 4 Thus, my questions is how to

[Wien] LAPW2C stop

Dear users I'm having the same problem in the calculation of thin films, the LAPWC2 was a week and not run. I am also no alternative. Dr A. V. dos Santos

[Wien] w2web

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[Wien] w2web

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