[Wien] case.inoabp

Gavin Abo gsabo at crimson.ua.edu
Sat Nov 3 22:58:44 CET 2012


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
> -------------------------------------------------------
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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