Commit 397550c1 authored by Han Yang's avatar Han Yang
Browse files

Update davidson_diago.f90

parent c0ce7d8d
......@@ -461,7 +461,7 @@ SUBROUTINE davidson_diago_k ( )
USE westcom, ONLY : dvg,dng,n_pdep_eigen,trev_pdep,n_pdep_maxiter,n_pdep_basis,wstat_calculation,ev,conv,&
& n_pdep_restart_from_itr,n_pdep_read_from_file,n_steps_write_restart,n_pdep_times,&
& trev_pdep_rel,tr2_dfpt,l_is_wstat_converged, &
& ngq,npwq,igq_q,npwqx,dfft_io,nlq
& ngq,npwq,igq_q,npwqx
USE pdep_db, ONLY : pdep_db_write,pdep_db_read
USE wstat_restart, ONLY : wstat_restart_write, wstat_restart_clear, wstat_restart_read
USE mp_world, ONLY : mpime
......@@ -580,12 +580,6 @@ SUBROUTINE davidson_diago_k ( )
!
npwq = ngq(iq)
!
! set nl of this q point
!
ALLOCATE( nlq(1,npwqx) )
nlq = 0
CALL set_nl (dfft_io, npwq, npwqx, 1, nlq, igq_q(:,iq))
!
! compute Coulomb potential
!
CALL pot3D%init('Wave',.TRUE.,'default',iq)
......@@ -915,8 +909,6 @@ SUBROUTINE davidson_diago_k ( )
!
CALL stop_clock( 'chidiago' )
!
DEALLOCATE(nlq)
!
ENDDO QPOINTS_LOOP ! iq
!
DEALLOCATE( conv )
......
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