[QE-users] Old variables and new variables

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Oct 13 15:25:45 CEST 2022


Most variables were moved to dffts and dfftp structures, in module fft_base:

nls  => dffts%nl
nlsm => dffts%nlm
nr1s => dffts%nr1
nr2s => dffts%nr2
nr3s => dffts%nr3

nl   => dfftp%nl
nlm  => dfftp%nlm
nr1  => dfftp%nr1
nr2  => dfftp%nr2
nr3  => dfftp%nr3
nrx1 => dfftp%nr1x
nrx2 => dfftp%nr2x
nrx3 => dfftp%nr3x
nrxx => dfftp%nnr

doublegrid  in module gvecs
ecutwfc     in module gvecw

> Indeed, I would like to use the code as it is changing the least 
> possible part since I don't know fortran90.

time to learn :-)

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222


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