[Wien] MAE

[bothina hamad]

Dear users,
              let me make it clear. I want to calculate the MAE of a multilayer system of Fe/W
I did complete spin polarized scf calculations for this system . I took the result of the well converged (of charge and forces)  and  ran initso script ,
for both 001 and 100 directions, but with the same input number of k points , I got diffrent 
k-list ( same k mesh), the question is why? and how can I unify this list to calculate the MAE ?

Thanks
Bothina   

--- On Thu, 9/17/09, bothina hamad <both_hamad at yahoo.com> wrote:

From: bothina hamad <both_hamad at yahoo.com>
Subject: [Wien] MAE
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Thursday, September 17, 2009, 6:37 PM

Dear users,
                I am performing spin-orbit coupling calculations to calculate the magnetocrystalline anisotropy energy. So does it make sence to obtain two different number of k points after initialization for 001 and 100 dirction for the same k-mesh? 

Best regards
Bothina




      
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