[Wien] Changing magnetization direction

Lukasz Plucinski pluto at physics.ucdavis.edu
Fri Jun 22 11:25:58 CEST 2018


Dear All,

I made one slab calculation with SOC. I would like to make subsequents 
calculations but with few different magnetization directions (as defined 
in case.inso). I would like to have a separate directory for each 
magnetization direction.

Could you let me know how to proceed to save time? Can I save_lapw, copy 
all these files to a new directory, restore_lapw in the new directory, 
do initso_lapw in the new directory, and start the SCF? Are there some 
other necessary steps?

Best,
Lukasz


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