[Wien] stop error: tthe required input file case.in2 for the next step could not be found
abdel Mar..
abdel3a000 at hotmail.fr
Wed Apr 24 18:29:03 CEST 2013
Dear Wien2k users
I tried to do calculations with on-site B3PW91 functional for 4f oxide
this is my case.ineece, for both f and d orbitals on the same atom
-9.0 1 emin Natom
1 1 3 iatom nlorb LORB
1 1 2 iatom nlorb LORB
Hybr hybr / BCC fashion
0.20 Amount of exact exchange
Error in Vorb
stop error: the required input file Case.in2 for the next step could not be found.
is not possible to do this kind of calculation?
Regards
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