A minor fix in EPW v6.0

EPW/src/readin.f90

@@ -951,6 +951,8 @@
     CALL errore('readin', 'phonon self-energy only works with full uniform k-mesh', 1)
   IF ((elecselfen .OR. specfun_el) .AND. mp_mesh_q) &
     CALL errore('readin', 'electron self-energy only works with full uniform q-mesh', 1)
+  IF (mp_mesh_k .AND. mp_mesh_q) &
+    CALL errore('readin', 'both mp_mesh_k and mp_mesh_q cannot be True, use either', 1)
   IF (ephwrite) THEN
     IF (.NOT. ep_coupling .AND. .NOT. elph) CALL errore('readin', &
       'ephwrite requires ep_coupling=.TRUE., elph=.TRUE.', 1)

EPW/src/summaries.f90

@@ -31,7 +31,8 @@
   USE symm_base,     ONLY : s, sname, ft, sr, t_rev
   USE noncollin_module, ONLY : noncolin, domag, lspinorb
   USE funct,         ONLY : write_dft_name
-  USE input,         ONLY : title, laniso, plrn, epbwrite, epwwrite
+  USE input,         ONLY : title, laniso, plrn, epbwrite, epwwrite, &
+                            ephwrite
   USE lr_symm_base,  ONLY : irotmq, minus_q, nsymq
   USE control_flags, ONLY : iverbosity
   USE fft_base,      ONLY : dfftp, dffts
@@ -78,22 +79,36 @@
     WRITE(stdout, '(/5x, "scaling to achieve maximum speedup")')
     WRITE(stdout, '(/5x, "---------------------------------------------------------------")')
   ELSEIF ((nimage > 1) .AND. ((laniso) .OR. (plrn))) THEN
+    WRITE(stdout, '(/5x,"-------------------------------Error----------------------------")')
     WRITE(stdout, '(/5x, "You have enabled image parallelization over q-grid ")')
     WRITE(stdout, '(/5x, "Unfortunately, image parallelization does not work for ")')
     WRITE(stdout, '(/5x, "anisotropic Eliashberg calculations and polaron calculation.")')
     WRITE(stdout, '(/5x, "Restart the calculation with pool-parallelization only.")')
     WRITE(stdout, '(/5x, "The calculation will stop now. "/)')
+    WRITE(stdout, '(/5x, "---------------------------------------------------------------")')
     CALL stop_epw() 
   ENDIF
   !
   IF ((nimage > 1) .AND. (epwwrite)) THEN
+    WRITE(stdout, '(/5x,"-------------------------------Error----------------------------")')
     WRITE(stdout, '(/5x, "You have enabled image parallelization over q-grid ")')
     WRITE(stdout, '(/5x, "Unfortunately, image parallelization does not work for ")')
     WRITE(stdout, '(/5x, "coarse grid calculations for Wannier representation.")')
     WRITE(stdout, '(/5x, "Restart the calculation with pool-parallelization only.")')
     WRITE(stdout, '(/5x, "The calculation will stop now. "/)')
+    WRITE(stdout, '(/5x, "---------------------------------------------------------------")')
     CALL stop_epw()   
   ENDIF 
+  IF ((nimage > 1) .AND. (ephwrite)) THEN
+    WRITE(stdout, '(/5x,"-------------------------------Error----------------------------")')
+    WRITE(stdout, '(/5x, "You have enabled image parallelization over q-grid ")')
+    WRITE(stdout, '(/5x, "Unfortunately, image parallelization does not work for ")')
+    WRITE(stdout, '(/5x, "ephwrite = .true..")')
+    WRITE(stdout, '(/5x, "Restart the calculation with pool-parallelization only.")')
+    WRITE(stdout, '(/5x, "The calculation will stop now. "/)')
+    WRITE(stdout, '(/5x, "---------------------------------------------------------------")')
+    CALL stop_epw() 
+  ENDIF
   ! 
   WRITE(stdout, 100) title, ibrav, alat, omega, nat, ntyp, ecutwfc, ecutwfc * dual
 100 FORMAT(/,5x,a75,/,/,5x, &

EPW/src/use_wannier.f90

@@ -318,7 +318,7 @@
   ! lfast_kmesh is a special optimization level to deal with ultra dense fine homogeneous grids.
   !
   ! Compute the Fermi energy as a function of temperature if required when using lfast_kmesh option
-  IF(lfast_kmesh) CALL fast_fermi(nrr_k, irvec_k, efcb)
+  IF (lfast_kmesh) CALL fast_fermi(nrr_k, irvec_k, efcb)
   !
   CALL load_mesh(nrr_k, irvec_k)
   !

EPW/src/utilities/utilities.f90

@@ -759,7 +759,7 @@
     !! Coordinates of real space vector for electrons
     REAL(KIND = DP), INTENT(inout) :: efcb(nstemp)
     !! Second fermi level for the temperature itemp
-
+    !
     ! Local variables
     INTEGER :: ik
     !! Counter on coarse k-point grid
@@ -788,7 +788,7 @@
     CALL kpoints_time_reversal_init()
     !
     CALL loadkmesh_para()
-
+    !
     nelec_aux = nelec
     ALLOCATE(etf(nbndsub, nkqf), STAT = ierr)
     IF (ierr /= 0) CALL errore('fast_fermi', 'Error allocating etf', 1)
@@ -806,7 +806,7 @@
     IF (ierr /= 0) CALL errore('fast_fermi', 'Error allocating fermi_energies_t',1)
     ALLOCATE(partion(nstemp), STAT = ierr)
     IF (ierr /= 0) CALL errore('fast_fermi', 'Error allocating partion', 1)
-
+    !
     irvec_r = REAL(irvec_k, KIND = DP)
     etf(:, :)   = zero
     cufkk(:, :) = czero
@@ -814,7 +814,7 @@
     rdotk(:)    = zero
     fermi_energies_t (:) = 0.d0
     partion(:) = 1
-
+    !
     xxq = 0.d0
     !
     ! nkqf is the number of kpoints in the pool