[Q-e-developers] Finite electric field (saw tooth) implementation details required (UNCLASSIFIED)

[Balu, Radhakrishnan (Cont, ARL/WMRD)]

Classification: UNCLASSIFIED
Caveats: NONE

Dear Developers,

I would like to study the properties of crystals under constant finite
electric field and would like to explore the use of PW in this context. I
see that the saw tooth like potential
implemented in PW might help for my studies. However, the shape of the field
has two regions, increasing and decreasing portions and no constant region.

I am looking for a feature somewhat like the zigzag potential supported by
the code wien2k. So, is it feasible to change the pw code to support a more
general potential with a
constant region ( apulse shaped potential)? If so could you please provide
me the reference for the implementation of the potential and pointers to the
relevant portion of the 
code so that I can attempt to change the code for my purpose.

Any help you may provide in this regard will be greatly appreciated. Since
it is a technical question I am contacting the developers directly. If you
feel that I should post it on
the forum please let me know, I will do the same.

Thank you in advance,
Rad 

Dr. Radhakrishnan Balu
Composites, Hybrids, Materials Branch
Materials & Manufacturing Division
Weapons & Materials Research Directorate RDRL-WMM-A
U.S. Army Research Laboratory 
Aberdeen Proving Ground, MD 21005-5066 
PHONE NUMBER 410-306-4787
email:rad.balu at us.army.mil


Classification: UNCLASSIFIED
Caveats: NONE


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