[Wien] lattice change mBJ+SO

2015-12-25 Thread emami seyyed amir abbas 
Dear users 

I am trying to run mBJ+SO for a cubic structure. Also i need to investigate the 
effect of lattice change on its magnetic properties. As i know for GGA 
calculation, i can just change the lattice and again run_lapw. But for mBJ we 
need some initialization. By this explanation, is it possible for mBL+SO to 
just change the lattice and again run_lapw without re-initializing. 

regards
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Re: [Wien] lattice change mBJ+SO

2015-12-25 Thread tran 

Yes, initialization is necessary only for the lattice.

On Fri, 25 Dec 2015, emami seyyed amir abbas wrote:


Dear users

I am trying to run mBJ+SO for a cubic structure. Also i need to investigate the 
effect of lattice change on its magnetic properties. As i know for GGA 
calculation, i can just change the
lattice and again run_lapw. But for mBJ we need some initialization. By this 
explanation, is it possible for mBL+SO to just change the lattice and again 
run_lapw without re-initializing.

regards



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