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quantum-espresso
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Merge branch 'develop' of gitlab.com:QEF/q-e into develop

This commit is contained in:
Samuel Poncé 2018-07-02 09:50:13 +01:00
parent ddd1548796 eda5a19094
commit 22e9ca1251
1 changed files with 6 additions and 17 deletions
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23
GWW/simple/wfc_basis.f90
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@ -77,12 +77,8 @@ subroutine wfc_basis
npw = ngk (1)
!IF ( nks > 1 ) READ( iunigk ) igk
if(.not.l_debug) then
call davcio (evc, 2*nwordwfc, iunwfc, 1, -1)
else
call debug_wfc(npw)
endif
call davcio (evc, 2*nwordwfc, iunwfc, 1, -1)
!allocate basis
@ -130,11 +126,8 @@ subroutine wfc_basis
npw1 = ngk (ik)
npw = ngk (ik)
if(.not.l_debug) then
call davcio (evc, 2*nwordwfc, iunwfc, ik, -1)
else
call debug_wfc(npw1)
endif
call davcio (evc, 2*nwordwfc, iunwfc, ik, -1)
wfc_t=(0.d0,0.d0)
do ipol=0,npol-1
@ -283,12 +276,8 @@ subroutine wfc_basis
!!weight
npw = ngk (ik)
if(.not.l_debug) then
call davcio (evc, 2*nwordwfc, iunwfc, ik, -1)
else
call debug_wfc(npw)
endif
call davcio (evc, 2*nwordwfc, iunwfc, ik, -1)
!!energies
if(ionode) write(iun) et(num_nbndv(1)-num_val+1:num_nbndv(1)+num_cond,ik)
!!matrix <wfc_e|wfc_ik>