[QE-users] npw vs npwx
Andrew Xu
andrewaccount at gmail.com
Wed Nov 11 19:28:55 CET 2020
Hi users,
In section 7.1 of the developer's manual, the following example code is
shown:
COMPLEX, ALLOCATABLE :: ps(:,:), wfc(:,:), swfc(:,:)
ALLOCATE (ps(m,m), wfc(npwx,m),swfc(npwx,m))
CALL zgemm (’c’, ’n’, m, m, npw, (1.d0, 0.d0), wfc, &
npwx, swfc, npwx, (0.d0, 0.d0), ps, m)
CALL mp_sum(ps,intra_bgrp_group)
In the zgemm statement, I'm confused why npw and npwx is used, instead of
only npw or only npwx. Is this saying the number of columns of op(wfc)
(which is the number of rows of swfc) is npwx, but we only use the first
npw columns of op(wfc) (rows of swfc) because the entries in the last npwx
- npw columns of op(wfc) (rows of swfc) are all zero?
Best regards,
Andrew
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