[Wien] A regular mesh of kpoints

[fatemeh.mirjani]

Dear users;

I’m writing an interface code between Wien2k & Wannier90.
But for exporting the data from Wien2k to Wannier90 I need a regular mesh of kpoints. For example if I choose the mesh 4*4*4 , I should have 64 kpoints. But Wien2k reduces the number of kpoints by symmetry.

The ways that I have tested but no success:
1-Writing a program for generating a regular mesh without any reduction of kpoints.
In this way when I run the program with this Klist that I have generate , At runnig scf the program stops and I see FERMI ERROR!

2-I copied this klist to case.klist_band and ran the program for LAPW1 & LAPW2 (because for extracting the required coefficients of wave functions I should run LAPW1 & LAPW2 )
But this runnig causes to ERROR too.
Is there anyone that has any attitude about my problem?
How I can run LAPW1 & LAPW2 for extracting the wave functions without any symmetry, with a regular and no reduction of klist.


Any help is appreciated.


-- 
Best Regards
Fatemeh Mirjani
Computational Condensed Matter Research Lab.
ICTP Affiliated Center in Isfahan,
Physics Department, Isfahan University of Technology, Iran
Email: f_mirjani at ph.iut.ac.ir 
Tel/Fax Office: +98311-3913746
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