[Pw_forum] yes or no question regarding the use of the lelfied tag in the pw.x code
S. Sanchez
lcqsigi at gmail.com
Mon Aug 23 22:17:52 CEST 2010
Dear all,
I have a very simple question; is it possible to use the "lelfield=.true."
in the PW.X code and apply two electric fields along two different
directions in a hexagonal, orthorombic, or monoclinic unit cell?
I did some calculations on cubic lattices and I was able to apply an
electric field along a diagonal direction of a cubic-lattice by decomposing
the diagonal-electric-field into its respective cartesian components; in
other words, if the magnitude of the electric field along a diagonal
direction is 0.01 a.u. (in a cubic system); then, the components of that
electric field will be: 0.007071 a.u. along a (or b or c) and 0.007071 a.u.
along b (or a or c). I wonder if the same approach is valid for non-cubic
lattices as well?
Thanks a lot for your help,
S. Sanchez
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