mirror of https://gitlab.com/QEF/q-e.git
Small cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9927 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
parent
74103cc59f
commit
ed539db2e8
|
@ -149,7 +149,7 @@ SUBROUTINE elphsum_wannier(q_index)
|
|||
USE mp_global, ONLY : me_pool, root_pool, inter_pool_comm, npool, intra_bgrp_comm
|
||||
USE io_global, ONLY : stdout,ionode
|
||||
USE io_files, ONLY : prefix
|
||||
USE qpoint, ONLY : xq, nksq
|
||||
USE qpoint, ONLY : xq, nksq, ikks, ikqs
|
||||
USE dynmat, ONLY : dyn, w2
|
||||
USE modes, ONLY : u, gi, gimq, irgq, irotmq
|
||||
USE control_ph, only : lgamma
|
||||
|
@ -213,13 +213,8 @@ SUBROUTINE elphsum_wannier(q_index)
|
|||
WRITE (iuelphmat) ((u(ipert,jpert),ipert=1,nmodes),jpert=1,nmodes)
|
||||
WRITE (iuelphmat) ((dyn(ipert,jpert),ipert=1,3*nat),jpert=1,3*nat)
|
||||
do ik=1,nksq
|
||||
IF (lgamma) THEN
|
||||
ikk = ik
|
||||
ikq = ik
|
||||
ELSE
|
||||
ikk = 2 * ik - 1
|
||||
ikq = ikk + 1
|
||||
ENDIF
|
||||
ikk=ikks(ik)
|
||||
ikq=ikqs(ik)
|
||||
xk_dummy(:)=xk(:,ikk)
|
||||
call cryst_to_cart(1,xk_dummy,at,-1)
|
||||
WRITE (iuelphmat) (xk_dummy(ipert),ipert=1,3)
|
||||
|
|
Loading…
Reference in New Issue