Beautifications

EPW/src/bloch2wan.f90

@@ -730,7 +730,7 @@
     REAL(kind=DP) :: zero_vect(3)
     !! temporary zero vector
     REAL(kind=DP) :: delta
-    !! \delta_nm = 1 if n == m and 0 if n .neq. m
+    !! \delta_nm = 1 if n == m and 0 if n /= m
     !
     COMPLEX(kind=DP) :: Apos(3,nbndsub,nbndsub,nks)
     !! A^W_{mn,\alpha}(k)

EPW/src/ephwann_shuffle.f90

@@ -921,6 +921,18 @@
     iq_restart = 1
     first_cycle = .FALSE.
     first_time = .TRUE.
+    IF (scattering .AND. .NOT. iterative_bte) THEN
+      ALLOCATE (inv_tau_all(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
+      ALLOCATE (zi_allvb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
+      inv_tau_all(:,:,:) = zero
+      zi_allvb(:,:,:)    = zero
+    ENDIF
+    IF (int_mob .AND. carrier) THEN
+      ALLOCATE (inv_tau_allcb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
+      ALLOCATE (zi_allcb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
+      inv_tau_allcb(:,:,:) = zero
+      zi_allcb(:,:,:)      = zero
+    ENDIF
     ! 
     ! Restart in SERTA case or self-energy case
     IF (restart) THEN
@@ -996,18 +1008,6 @@
     ! Fine mesh set of g-matrices.  It is large for memory storage
     ALLOCATE (epf17(ibndmax-ibndmin+1, ibndmax-ibndmin+1, nmodes, nkf))
     epf17(:,:,:,:) = czero
-    IF (scattering .AND. .NOT. iterative_bte) THEN
-      ALLOCATE (inv_tau_all(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
-      ALLOCATE (zi_allvb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
-      inv_tau_all(:,:,:) = zero
-      zi_allvb(:,:,:)    = zero
-    ENDIF
-    IF (int_mob .AND. carrier) THEN
-      ALLOCATE (inv_tau_allcb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
-      ALLOCATE (zi_allcb(nstemp, ibndmax-ibndmin+1, nkqtotf/2))
-      inv_tau_allcb(:,:,:) = zero
-      zi_allcb(:,:,:)      = zero
-    ENDIF
     IF (elecselfen .OR. plselfen) THEN
       ALLOCATE (sigmar_all(ibndmax-ibndmin+1, nkqtotf/2))
       ALLOCATE (sigmai_all(ibndmax-ibndmin+1, nkqtotf/2))

EPW/src/ephwann_shuffle_mem.f90

@@ -290,14 +290,14 @@
   COMPLEX(kind=DP), ALLOCATABLE :: epmatlrT(:,:,:,:)
   !! Long-range temp. save
   ! 
-  IF (nbndsub.ne.nbnd) &
+  IF (nbndsub /= nbnd) &
        WRITE(stdout, '(/,5x,a,i4)' ) 'Band disentanglement is used:  nbndsub = ', nbndsub
   !
-  ALLOCATE ( cu ( nbnd, nbndsub, nks), & 
-             cuq ( nbnd, nbndsub, nks), & 
-             lwin ( nbnd, nks ), &
-             lwinq ( nbnd, nks ), &
-             exband ( nbnd ) )
+  ALLOCATE (cu(nbnd, nbndsub, nks))
+  ALLOCATE (cuq(nbnd, nbndsub, nks))
+  ALLOCATE (lwin(nbnd, nks))
+  ALLOCATE (lwinq(nbnd, nks))
+  ALLOCATE (exband(nbnd)) 
   !
   CALL start_clock ( 'ephwann' )
   !
@@ -311,7 +311,7 @@
     ! We need some crystal info
     IF (mpime == ionode_id) THEN
       !
-      OPEN(UNIT=crystal,FILE='crystal.fmt',status='old',iostat=ios)
+      OPEN (UNIT = crystal, FILE = 'crystal.fmt', STATUS = 'old', IOSTAT = ios)
       READ (crystal,*) nat
       READ (crystal,*) nmodes
       READ (crystal,*) nelec

EPW/src/io_eliashberg.f90

@@ -1307,7 +1307,7 @@
     ELSE
       ef0 = efnew 
       !ef0 = efermig(etf, nbndsub, nkqf, nelec, wkf, degaussw, ngaussw, 0, isk)
-      ! if some bands are skipped (nbndskip.neq.0), nelec has already been recalculated 
+      ! if some bands are skipped (nbndskip /= 0), nelec has already been recalculated 
       ! in ephwann_shuffle
     ENDIF
     !     

EPW/src/selfen_phon.f90

@@ -187,7 +187,7 @@
     ELSE IF (nsmear > 1) THEN
       !
       ef0 = efermig(etf, nbndsub, nkqf, nelec, wkf, degaussw0, ngaussw, 0, isk_dummy)
-      ! if some bands are skipped (nbndskip.neq.0), nelec has already been
+      ! if some bands are skipped (nbndskip /= 0), nelec has already been
       ! recalculated 
       ! in ephwann_shuffle
       !

EPW/src/selfen_pl.f90

@@ -109,7 +109,7 @@
   ELSE
     !
     ef0 = efnew ! Fermi energy is recalculated on the fine mesh!! 
-    ! if some bands are skipped (nbndskip.neq.0), nelec has already been recalculated 
+    ! if some bands are skipped (nbndskip /= 0), nelec has already been recalculated 
     ! in ephwann_shuffle
     !
   ENDIF

EPW/src/spectral_func.f90

@@ -144,7 +144,7 @@
   ELSE
     !
     ef0 = efermig(etf, nbndsub, nkqf, nelec, wkf, degaussw, ngaussw, 0, isk_dummy)
-    ! if some bands are skipped (nbndskip.neq.0), nelec has already been recalculated 
+    ! if some bands are skipped (nbndskip /= 0), nelec has already been recalculated 
     ! in ephwann_shuffle
     !
   ENDIF

EPW/src/spectral_func_ph.f90

@@ -151,7 +151,7 @@
   ELSE IF (nsmear > 1) THEN
     !
     ef0 = efermig(etf, nbndsub, nkqf, nelec, wkf, degaussw, ngaussw, 0, isk_dummy)
-    ! if some bands are skipped (nbndskip.neq.0), nelec has already been
+    ! if some bands are skipped (nbndskip /= 0), nelec has already been
     ! recalculated in ephwann_shuffle
     !
   ELSE !SP: This is added for efficiency reason because the efermig routine is slow

EPW/src/spectral_func_pl.f90

@@ -94,7 +94,7 @@
   ELSE
     !
     ef0 = efermig(etf, nbndsub, nkqf, nelec, wkf, degaussw, ngaussw, 0, isk_dummy)
-    ! if some bands are skipped (nbndskip.neq.0), nelec has already been recalculated 
+    ! if some bands are skipped (nbndskip /= 0), nelec has already been recalculated 
     ! in ephwann_shuffle
     !
   ENDIF