Commit dde4ad62 authored by Govoni's avatar Govoni
Browse files

Updated pwcom.

parent a4b0e5ee
......@@ -269,7 +269,6 @@ SUBROUTINE store_vcspecial_H(vc_tmp,numg)
!
USE kinds, ONLY : DP
USE cell_base, ONLY : tpiba, at,omega
USE pwcom, ONLY : npw,npwx
USE gvect, ONLY : g,gstart
USE constants, ONLY : fpi, e2, pi
USE exx, ONLY : exxdiv
......
......@@ -15,7 +15,6 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
!-----------------------------------------------------------------------
!
USE json_module, ONLY : json_file
USE pwcom
USE westcom
USE io_files, ONLY : tmp_dir, prefix
USE io_global, ONLY : stdout
......
......@@ -15,9 +15,9 @@ SUBROUTINE set_isz( isz_mode, isz )
!-----------------------------------------------------------------------
!
USE kinds, ONLY : DP
USE cell_base, ONLY : omega
USE cell_base, ONLY : omega,tpiba2
USE constants, ONLY : pi,fpi
USE pwcom, ONLY : tpiba2,npw
USE pwcom, ONLY : npw
USE gvect, ONLY : g,gstart
USE mp, ONLY : mp_sum
USE mp_global, ONLY : intra_bgrp_comm
......
......@@ -17,7 +17,7 @@ SUBROUTINE do_eigenpot2 ( )
USE kinds, ONLY : DP
USE uspp, ONLY : vkb,nkb
USE io_global, ONLY : stdout
USE pwcom, ONLY : current_spin,wk,nks,nelup,neldw,isk,g,igk_k,ngm,tpiba2,xk,npw,npwx,lsda,nkstot,&
USE pwcom, ONLY : current_spin,wk,nks,nelup,neldw,isk,g,igk_k,ngm,tpiba2,xk,lsda,nkstot,&
& current_k,ngk
USE io_push, ONLY : io_push_title,io_push_bar
USE westcom, ONLY : westpp_sign,iuwfc,lrwfc,westpp_calculation,westpp_range,westpp_save_dir,fftdriver,&
......
......@@ -17,8 +17,9 @@ SUBROUTINE do_rho ( )
USE kinds, ONLY : DP
USE uspp, ONLY : vkb,nkb
USE io_global, ONLY : stdout
USE pwcom, ONLY : current_spin,wk,nks,nelup,neldw,isk,g,igk_k,ngm,tpiba2,xk,npw,npwx,lsda,nkstot,&
USE pwcom, ONLY : current_spin,wk,nks,nelup,neldw,isk,g,igk_k,ngm,xk,npw,npwx,lsda,nkstot,&
& current_k,ngk
USE cell_base, ONLY : tpiba2
USE io_push, ONLY : io_push_title,io_push_bar
USE westcom, ONLY : westpp_sign,iuwfc,lrwfc,westpp_calculation,westpp_range,westpp_save_dir,nbnd_occ
USE mp_global, ONLY : inter_image_comm,my_image_id,intra_image_comm
......
......@@ -15,13 +15,11 @@ SUBROUTINE dump_r ( auxr, fname )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP
USE westcom, ONLY : westpp_format,westpp_r0, westpp_nr, westpp_rmax,npwq0,npwq0x,fftdriver, &
& westpp_calculation
USE westcom, ONLY : westpp_format,westpp_r0, westpp_nr, westpp_rmax,fftdriver, westpp_calculation
USE fft_base, ONLY : dffts
USE cubefile, ONLY : write_wfc_cube_r
USE fft_at_gamma, ONLY : single_fwfft_gamma
USE fft_at_k, ONLY : single_fwfft_k
USE pwcom, ONLY : npw, npwx
USE control_flags, ONLY : gamma_only
USE gvect, ONLY : ngm
!
......
......@@ -14,7 +14,6 @@
SUBROUTINE write_wfc_1D_r ( dfft, iu, fname, wfc_distr, ipol)
! -------------------------------------------------------------------
!
USE pwcom, ONLY : npw,npwx
USE kinds, ONLY : DP
USE cell_base, ONLY : celldm, at, bg, omega
USE ions_base, ONLY : nat, tau, atm, ityp
......
......@@ -16,9 +16,8 @@ SUBROUTINE write_wfc_spav ( iu, fname, wfc, r0, nr, rmax )
!
! r0 and rmax are in a.u
!
USE pwcom, ONLY : npw,npwx,tpiba,alat
USE kinds, ONLY : DP
USE cell_base, ONLY : celldm, at, bg, omega
USE cell_base, ONLY : celldm, at, bg, omega, tpiba, alat
USE ions_base, ONLY : nat, tau, atm, ityp
USE mp_global, ONLY : me_bgrp,root_bgrp,intra_bgrp_comm
USE mp, ONLY : mp_sum
......
......@@ -23,7 +23,7 @@ SUBROUTINE calc_corr_gamma( sigma_corr, energy, l_verbose)
USE io_global, ONLY : stdout
USE cell_base, ONLY : omega
USE constants, ONLY : tpi,fpi,rytoev,e2,pi
USE pwcom, ONLY : npw,npwx,et,nks,current_spin,isk,xk,nbnd,lsda,g2kin,nspin,current_k,wk
USE pwcom, ONLY : et,nks,current_spin,isk,xk,nbnd,lsda,g2kin,nspin,current_k,wk
USE westcom, ONLY : qp_bandrange,isz,&
& nbnd_occ,l_enable_lanczos,&
& n_lanczos,iks_l2g,l_macropol,&
......@@ -224,7 +224,7 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
USE io_global, ONLY : stdout
USE cell_base, ONLY : omega
USE constants, ONLY : tpi,fpi,rytoev,e2,pi
USE pwcom, ONLY : npw,npwx,et,nks,current_spin,isk,xk,nbnd,lsda,g2kin,nspin,current_k,wk
USE pwcom, ONLY : et,nks,current_spin,isk,xk,nbnd,lsda,g2kin,nspin,current_k,wk
USE westcom, ONLY : qp_bandrange,isz,&
& nbnd_occ,l_enable_lanczos,&
& n_lanczos,iks_l2g,l_macropol,&
......
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