[Pw_forum] vc-relax with starting_magnetization

Bryan M. Wong usagi at alumni.rice.edu
Wed Mar 10 10:41:29 CET 2010


Hi,

     Does anyone know how to do a "vc-relax" with the
"starting_magnetization" option turned on?

     I can always do a regular "relax" with the starting_magnetization
guess, and the structure will relax constrained to my fixed unit cell
dimensions. However, when I do a vc-relax with starting_magnetization set to
any value, the 2nd step in the cell relaxation always reverts to the
spin-unpolarized case (and the optimization will continue with the
spin-unpolarized case).

Bryan
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