Commit c3db2216 authored by Samuel Poncé's avatar Samuel Poncé

Small debug of previous commit.

parent bbb38902
......@@ -109,14 +109,14 @@
!
ng0vec = 0
DO ig1 = -2, 2
DO ig2 = -2, 2
DO ig3 = -2, 2
ng0vec = ng0vec + 1
g0vec_all(1,ng0vec) = ig1
g0vec_all(2,ng0vec) = ig2
g0vec_all(3,ng0vec) = ig3
DO ig2 = -2, 2
DO ig3 = -2, 2
ng0vec = ng0vec + 1
g0vec_all(1,ng0vec) = ig1
g0vec_all(2,ng0vec) = ig2
g0vec_all(3,ng0vec) = ig3
ENDDO
ENDDO
ENDDO
ENDDO
!
! bring all the k points from cartesian to crystal coordinates
......@@ -370,7 +370,7 @@
SUBROUTINE createkmap_pw2
!-------------------------------------------------------------------------
!!
!! Creates the first instances of [prefix].kmap and [prefix].kgmap.
!! Creates the first instance of [prefix].kgmap.
!!
!-------------------------------------------------------------------------
USE kinds, ONLY : DP
......@@ -513,12 +513,6 @@
ngm = 0
ngm_local = 0
!
! Set the total number of FFT mesh points and and initial value of gg.
! The choice of gcutm is due to the fact that we have to order the
! vectors after computing them
!
gg(:) = gcutm + 1.d0
!
! and computes all the g vectors inside a sphere
!
ALLOCATE( mill_unsorted(3,ngm_save) )
......@@ -532,6 +526,12 @@
ALLOCATE( g(3,ngm_max) )
ALLOCATE( gg(ngm_max) )
!
! Set the total number of FFT mesh points and and initial value of gg.
! The choice of gcutm is due to the fact that we have to order the
! vectors after computing them
!
gg(:) = gcutm + 1.d0
!
g2sort_g(:) = 1.0d20
!
! allocate temporal array
......@@ -602,7 +602,7 @@
!
ngm = 0
!
ngloop: DO ng = 1, ngm_max
DO ng = 1, ngm_max
!
IF ( g2l(igsrt(ng))>0 ) THEN
! fetch the indices
......@@ -617,7 +617,7 @@
g(1:3,ngm) = i * bg(:,1) + j * bg(:,2) + k * bg(:,3)
gg(ngm) = sum(g(1:3,ngm)**2)
ENDIF
ENDDO ngloop
ENDDO !ngloop
DEALLOCATE( g2l )
!
IF (ngm /= ngm_save) &
......
......@@ -740,9 +740,9 @@
IF (amass (it) <= 0.d0) CALL errore ('epw_readin', 'Wrong masses', it)
ENDDO
!
! No k+q anymore, can we cut?
IF (mod (nks, 2) .ne.0) CALL errore ('epw_readin', &
'k-points are odd', 0)
! No k+q anymore, can we cut?
!IF (mod (nks, 2) .ne.0) CALL errore ('epw_readin', &
! 'k-points are odd', 0)
!
! broadcast the values of nq1, nq2, nq3
!
......
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