Merge branch 'develop' into gpu-develop

TDDFPT/src/lr_dvpsi_eels.f90

@@ -31,7 +31,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
   USE gvecw,                 ONLY : gcutw
   USE qpoint,                ONLY : ikks, ikqs, nksq 
   USE eqv,                   ONLY : evq, dpsi 
-  USE wavefunctions,  ONLY : evc
+  USE wavefunctions,         ONLY : evc
   USE noncollin_module,      ONLY : npol
   use klist,                 only : xk, igk_k, ngk
   use gvect,                 only : ngm, g
@@ -40,6 +40,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
   use uspp,                  only : vkb, okvan
   USE mp_bands,              ONLY : ntask_groups
   USE buffers,               ONLY : get_buffer
+  USE lr_variables,          ONLY : calculator
   USE fft_helper_subroutines
  
   IMPLICIT NONE
@@ -135,7 +136,7 @@ SUBROUTINE lr_dvpsi_eels (ik, dvpsi1, dvpsi2)
   !
   ! In the ultrasoft case apply the S^{-1} operator.
   !
-  IF (okvan) THEN
+  IF (okvan .AND. trim(calculator)=='lanczos') THEN
      !
      dpsi(:,:) = (0.0d0, 0.0d0)
      !

TDDFPT/src/lr_eels_main.f90

@@ -142,6 +142,9 @@ PROGRAM lr_eels_main
      !
      ! Sternheimer algorithm
      !
+     IF (noncolin) CALL errore('lr_eels_main', 'sternheimer with noncolin is not &
+                              & yet implemented',1)
+
      WRITE(stdout,'(/,5X,"STERNHEIMER LINEAR-RESPONSE SPECTRUM CALCULATION")')
      !
      WRITE(stdout,'(/5x,"Number of frequencies = ",i6)') nfs

TDDFPT/src/lr_sternheimer.f90

@@ -495,7 +495,7 @@ dvpsi =(0.0d0, 0.0d0)
              ENDIF
              IF (noncolin) THEN
                 CALL incdrhoscf_nc(dvscfout(1,1,ipol), weight, ik, &
-                                   dbecsum_nc(1,1,1,1,ipol), dpsi)
+                                   dbecsum_nc(1,1,1,1,ipol), dpsi, 1.0d0)
              ELSE
 
                 CALL incdrhoscf (dvscfout(1,current_spin,ipol), weight, &