[Wien] Error in case.in0 (H-mode)

2008-02-18 Thread Peter Blaha
The only modification to case.in0 should be in the first line setting 18 instead of 13. The rest of the instructuions is for case.ineece, where you should specify HYBR and 0.2. Please note: we found some possible bugs in the Hybrid code (mainly for cubic-symmetry or when the number of LMs

[Wien] Help

2008-02-18 Thread Kadkhodazadeh, Shima
: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080218/d14a198d/attachment.html