[Wien] What is changed in WIEN2k_8.1?

Hamid Abbaszadeh Peivasti abbaszadeh at physics.sharif.edu
Fri Feb 15 19:54:21 CET 2008


Dear WIEN2k developer;

I used WIEN2k from version 5 to last version 8.1. I use LSDA+U for my
calculation. In previous version, everything was good and we have reasonable
results but in this new version, everything is wrong. What's the matter?

I have check all parameter from structure, exchange function,
exchange-correlation function, k-point, mixing method and factor, and other
thing that you can imagine, I have read UG and mailing list.

-- 
MSc. H. Abbaszadeh
Magnetic Research Laboratory (MRL)
Sharif University of Technology (SUT)
Tehran, IRAN
Mobile: +98(914)4132419
e-mail: abbaszadeh at physics.sharif.edu
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