[Wien] case.inoabp

2012-11-03 Thread mostefa djermouni 
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] case.inoabp

2012-11-03 Thread Gavin Abo 
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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