[Wien] virtual crystal approximation

Hi users.I want to calculate VCA for 10% hole doping.Fist, edit Z of an atom in structure file.Second, in the step of check case.in1_st, I face the message "error: case.inst not consistent with Z edit case.inst and rerun lstart afterwards or change Z in StructGen!". So, I modified the value

[Wien] LDA+U+SOC with UJ inputs

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120924/7b456a37/attachment.htm

[Wien] SOC strength

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120410/ee77ceaa/attachment.htm

[Wien] 3D spin density

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120326/2402192b/attachment.htm

[Wien] spin density

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120308/4a491838/attachment.htm

[Wien] [SPAM?] LSDA + U calculation

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111024/ea64813a/attachment.htm

[Wien] for inorb file

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111022/46064a3a/attachment.htm

[Wien] [SPAM?] LSDA + U calculation

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111023/f1bf8807/attachment.htm

[Wien] [SPAM?] LSDA + U calculation

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111022/1408afca/attachment.htm

[Wien] for inorb file

An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111022/a26058c8/attachment.htm