Dear Dev,
I also have never used this feature of the code but Doc directory has
useful documents when you need answers: Doc/eps_man.tex
It is clearly stated there that "the non-local contribution due to the
pseudopotential is neglected. Actually the correction to the matrix
element that take
he error message "LSDA
not available with electric field" seems a little bit confusing to me.
Thank you very much.
Hanghui
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field or it is just that this function is not implemented in QE.
Thank you very much.
Hanghui Chen
Department of Physics
Yale University
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+ MTech
Physics Dept
IIT Bombay
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>>
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> Duy Le
> PhD Student
> Department of Physics
> University of Central Florida.
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Dear Sreekar,
Could you please clarify why, in your opinion, energy/(unit cell
volume) vs (unit cell volume) should give the minimum but not energy
vs (unit cell volume)? Since you are trying to find the gs lattice
constant, I am assuming you consider harmonic approximation around gs
lattice
