[Pw_forum] coefficients of wavefunctions
John Chan
mxchen.2011 at gmail.com
Wed Feb 27 23:02:33 CET 2013
Dear QE developers and users,
Did anybody manage to output coefficients of wavefunctions in a readable
format? The file $prefix.wfc produced by pw.x is in an internal format,
which is not convenient for post processing for users who are interested
in wavefunctions. For instance, one can do band unfolding conveniently
based on the wavefunctions of supercell systems, because the
wavefunctions generated by pw.x are composed of plane waves. I strongly
recommend that an option for outputting the wavefunctions in a readable
format in the coming version of QE. I will thank anybody who is willing
to help me to output the coefficients of wavefunctions.
br,
Chan
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