[Wien] [Wien2k Users] QTL Error in DOS calculations
Peter Blaha
pblaha at theochem.tuwien.ac.at
Tue May 18 07:39:26 CEST 2010
Open the UG in acrobat and "search" for in1ef.
-in1ef will be the default behavior in the next release !!!
It changes the default energy parameters (0.3) in case.in1 to EF-0.2
Am 18.05.2010 04:01, schrieb 王静:
> Sir,
> Can you exlain me how to use -in1ef switch and in which situation it should be used. There seem no comment about this option in UG.
> Thanks in advance!
--
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria
More information about the Wien
mailing list