[Wien] spin polarized

Tarek Hammad hammad_tarek at hotmail.com
Fri Jan 1 10:50:38 CET 2016


Dear all
      should I intentionally change the lattice parameter in structure file from cubic to tetragonal when applying the field in 001direction in case of SP calculations as I found in userguide of wien2k " Suppose you have a cubic system and put the magnetization along [001]. This will create
a tetragonal symmetry (and you can temporarely tell this to the initialization programs by
changing the respective lattice parameter c to a tetragonal system)."
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Thanks a lot.
Tarek Hammad.
 		 	   		  
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