Dear Zahra,
the pw_export format is read eg in WanT (www.wannier-transport.org).
If you download any recent version, and grep for routine starting with
qexpt_ in want/src/wannier/*f90
you'll see how grids are read (in particular see ggrids.f90 and
wfc_data.f90)
Sources of the qexpt library (readin pw_export data) can be found in
want/src/baselib/qexpt.f90
hope it helps
Andrea
I used pw_export to obtain wavefunction. The coefficients of wavefunctions in
k-space were written in wfc.* files.
But I'm confused about grid.* files. In fact I want to find the G vectors ( of
grid.* files) that the wavefunction
coefficients are written corresponding them.
I will be very appreciated if any one can explain more about them.
-------------------------
Zahra
IPM, Tehran, Iran
--
Andrea Ferretti, PhD
S3 Center, Istituto Nanoscienze, CNR
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it
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