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

2009-06-24 Thread Donghui Guo
part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/eebab705/attachment.htm>

[Wien] Installation problem

2009-06-24 Thread Debojyoti Mukherjee
ubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/69d644e7/attachment.htm>

[Wien] question about Im(Epsilon) for interband combination

2009-06-24 Thread Yonggu　Shim
Dear Wien2k users, I am using Wien2k_09. I'm trying to calculate Im(Epsilon) for each band combination. When I calculate the interband contributions (SWITCH 5 in line 4 of case.injoint), I obtain output files from case.Im_eps_xx_1 until case.Im_eps_xx_99. However, I can't obtain more than 100 fil

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

2009-06-24 Thread Donghui Guo
part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/69315781/attachment.htm>

[Wien] installation of WIEN2K

2009-06-24 Thread علاء عبد الحميد
x27;t know why. If you please let me know how i continue with the installation Aladin -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/655de253/attachment.htm>