Corrected bug affecting nspin=2

Tools/fetch_input.f90

@@ -347,7 +347,7 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
      IF( ecut_refreq<=0._DP) CALL errore('fetch_input','Err: ecut_imfreq<0.',1)
      IF( ecut_spectralf(2)<ecut_spectralf(1)) CALL errore('fetch_input','Err: ecut_spectralf(2)<ecut_spectralf(1)',1)
      IF( wfreq_eta<=0._DP) CALL errore('fetch_input','Err: wfreq_eta<0.',1)
-     IF( n_secant_maxiter < 1 ) CALL errore('fetch_input','Err: n_secant_maxiter<1',1) 
+     IF( n_secant_maxiter < 0 ) CALL errore('fetch_input','Err: n_secant_maxiter<0',1) 
      IF( trev_secant<=0._DP) CALL errore('fetch_input','Err: trev_secant<0.',1)
      SELECT CASE(macropol_calculation) 
      CASE('N','n','C','c')

Wfreq/calc_corr.f90

@@ -244,7 +244,7 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
   !
   ! Workspace
   !
-  INTEGER :: ik,ikk,iks,ikks,iq,ib,ifreq,glob_ifreq,il,im,glob_im,ip
+  INTEGER :: ik,ikk,iks,ikks,iq,ib,ifreq,glob_ifreq,il,im,glob_im,ip,is,iss
   INTEGER :: nbndval
   !
   REAL(DP),EXTERNAL :: integrate_imfreq
@@ -286,7 +286,7 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
   DO iks = 1, k_grid%nps   ! KPOINT-SPIN (MATRIX ELEMENT)
      !
      ik = k_grid%ip(iks) 
-!     is = k_grid%is(iks)
+     is = k_grid%is(iks)
      !
      DO ib = qp_bandrange(1), qp_bandrange(2)
         !
@@ -297,6 +297,8 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
         DO ikks = 1, k_grid%nps    ! KPOINT-SPIN (INTEGRAL OVER K')
            !
            ikk = k_grid%ip(ikks)
+           iss = k_grid%is(ikks)
+           IF( is /= iss ) CYCLE
            !
            !CALL k_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 1, 'cart', iq, g0 ) !MATTEO
            CALL k_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 'cart', iq, g0 )     !MARCO
@@ -371,7 +373,7 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
   DO iks = 1, k_grid%nps   ! KPOINT-SPIN (MATRIX ELEMENT)
      !
      ik = k_grid%ip(iks)
-!     is = k_grid%is(iks)
+     is = k_grid%is(iks)
      !
      DO ib = qp_bandrange(1), qp_bandrange(2)
         !
@@ -384,6 +386,9 @@ SUBROUTINE calc_corr_k( sigma_corr, energy, l_verbose)
         DO ikks = 1, k_grid%nps   ! KPOINT-SPIN (INTEGRAL OVER K')
            !
            ikk = k_grid%ip(ikks)
+           iss = k_grid%is(ikks)
+           !
+           IF( is /= iss ) CYCLE
            !
            !CALL k_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 1, 'cart', iq, g0 )  !MATTEO
            CALL k_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 'cart', iq, g0 )      !MARCO

Wfreq/solve_qp.f90

@@ -607,6 +607,7 @@ SUBROUTINE solve_qp_k(l_secant,l_generate_plot)
   LOGICAL,ALLOCATABLE :: l_conv(:,:)
   REAL(DP),PARAMETER   :: eshift = 0.007349862_DP ! = 0.1 eV
   INTEGER :: k, ib, iks, ik, ikks, ikk, iq, ifixed, ip, glob_ip, ifreq, il, im, glob_im, glob_jp, glob_ifreq
+  INTEGER :: is, iss
   REAL(DP) :: q(3), g0(3)
   REAL(DP),ALLOCATABLE :: out_tab(:,:)
   CHARACTER(LEN=5) :: myglobk 
@@ -694,6 +695,7 @@ SUBROUTINE solve_qp_k(l_secant,l_generate_plot)
   DO iks = 1, k_grid%nps   ! KPOINT-SPIN (MATRIX ELEMENT)
      !
      ik = k_grid%ip(iks)
+     is = k_grid%is(iks)
      !
      nbndval = nbnd_occ(iks)
      !
@@ -702,6 +704,8 @@ SUBROUTINE solve_qp_k(l_secant,l_generate_plot)
         DO ikks = 1, k_grid%nps   ! KPOINT-SPIN (INTEGRAL OVER K')
            !
            ikk = k_grid%ip(ikks)
+           iss = k_grid%is(ikks)
+           IF( is /= iss ) CYCLE 
            !
            !CALL q_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 1, 'cart', iq, g0 ) !MATTEO
            CALL q_grid%find( k_grid%p_cart(:,ik) - k_grid%p_cart(:,ikk), 'cart', iq, g0 )     !MARCO
@@ -767,7 +771,7 @@ SUBROUTINE solve_qp_k(l_secant,l_generate_plot)
                  !
               ENDDO ! im
               !
-              CALL mp_sum( ztemp, inter_image_comm ) 
+              CALL mp_sum( ztemp, inter_image_comm )
               !
               DO im = 1, aband%nloc
                  glob_im = aband%l2g(im)
@@ -1173,6 +1177,7 @@ SUBROUTINE output_eqp_report(iteration,en1,en2,sc1)
      WRITE( stdout, '(5x,"k(",i6.6,") = (",3f12.7,") cryst. coord.")') ik, k_grid%p_cryst(1:3,ik)
      IF( lnospin ) THEN
         WRITE(stdout,"(5X,a,1X,a,1X,a)") 'band  ', '   QP en. [eV]', 'conv'
+        iks = k_grid%ipis2ips(ik,1)
         DO ib = qp_bandrange(1), qp_bandrange(2)
            symb(1)='  no'
            IF( (iteration .NE. 0) .AND. (ABS(en2(ib,iks)-en1(ib,iks)) < trev_secant) ) symb(1)=' yes'

Wfreq/solve_wfreq.f90

@@ -39,7 +39,7 @@ SUBROUTINE solve_wfreq_gamma(l_read_restart,l_generate_plot)
                                  & l_enable_lanczos,nbnd_occ,iuwfc,lrwfc,wfreq_eta,imfreq_list,refreq_list,tr2_dfpt,&
                                  & z_head_rfr,d_head_ifr,o_restart_time,l_skip_nl_part_of_hcomr,npwqx,fftdriver, wstat_save_dir
   USE mp_global,            ONLY : my_image_id,nimage,inter_image_comm,intra_bgrp_comm
-  USE mp_world,             ONLY : mpime
+  USE mp_world,             ONLY : mpime,root
   USE mp,                   ONLY : mp_bcast,mp_barrier,mp_sum
   USE io_global,            ONLY : stdout,ionode
   USE gvect,                ONLY : g,ngm,gstart
@@ -588,7 +588,7 @@ SUBROUTINE solve_wfreq_k(l_read_restart,l_generate_plot)
                                  & z_head_rfr,z_head_ifr,o_restart_time,l_skip_nl_part_of_hcomr,npwqx,fftdriver, wstat_save_dir,&
                                  & ngq, igq_q
   USE mp_global,            ONLY : my_image_id,nimage,inter_image_comm,intra_bgrp_comm
-  USE mp_world,             ONLY : mpime
+  USE mp_world,             ONLY : mpime,root
   USE mp,                   ONLY : mp_bcast,mp_barrier,mp_sum
   USE io_global,            ONLY : stdout,ionode
   USE gvect,                ONLY : g,ngm,gstart