For example, A, B, p is 0.488, 0.5, 1 (P-present parametrization, Table II of PRB vol. 85, p. 155109, 2012)
The correct format (on lines 1-3) of case.in0abp: 0.488 0.5 1 On 11/3/2012 1:20 PM, mostefa djermouni wrote: > Dear WIEN2k users and developers, > > I want to use TB-mBJ without the default c parameter (default=-0.012, 1.023, > 0.5), > I have used this line in the empty file case.in0abp > > A, B, p > This way doesn't give any change. please what shall I do? > > Thanks in advance > ------------------------------------------------------- > Mostefa DJERMOUNI > Modeling and Simulation in Materials Science Laboratory > University of Sidi Bel-Abbes > 22000 Sidi Bel-Abbes, Algeria > Tel: +213 795 626 105 > ------------------------------------------------------- > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121103/a26d800c/attachment.htm>