[Pw_forum] Finite Electric field

Lorenzo Paulatto paulatto at sissa.it
Mon Nov 30 18:30:41 CET 2009

Replying to message "[Pw_forum] Finite Electric field" from Antonio MSJ  
> I'm trying to do the same with a periodic system with PWscf. I found in
> PWscf manual the 'lelfield' amd 'gdir' variables and I understood that I  
> can define the direction of the field to be only the axis direction on
> reciprocal lattice. Is there any way to define the electric field  
> direction with components of a*, b* and c*? In another words, a diagonal  
> electric
> field through the cell?

Dear Antonio,
It is possible, but it is not programmed. As you are studying an isolated  
system, cannot you just turn the molecule? Alternatively, you can use the  
dipfield Berry-phase electric field, but I would suggest a bit of  
mailing-list digging, before, because it is a bit more complicated to use.

best regards

Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***

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