EPW v5.5

Doc/release-notes

@@ -6,6 +6,10 @@ New in 7.1 version:
   * If no explicit parallelization options -nk, -nt, -nd are provided,
     pw.x will figure out suitable values for optimal, or at least, not
     too bad, parallelization
+  * EPW:
+    (1) The full-bandwidth approach to the Eliashberg equations and the sparse sampling in the superconductivity module
+    For the full list of new features, bug fixes, and changes leading to backward incompatibility issues,
+    please visit the Releases page of the EPW documentation site [https://docs.epw-code.org/doc/Releases.html].
 
 Incompatible changes in 7.1 version:
   * Source files previously found in FFTXLIB/ moved to FFTXLIB/src/

EPW/src/epw.f90

@@ -10,7 +10,7 @@
   PROGRAM epw
   !-----------------------------------------------------------------------
   !! author: Samuel Ponce', Roxana Margine, Carla Verdi, Feliciano Giustino
-  !! version: v5.4.1
+  !! version: v5.5
   !! license: GNU
   !! summary: EPW main driver
   !!
@@ -38,7 +38,7 @@
   CHARACTER(LEN = 12) :: code = 'EPW'
   !! Name of the program
   !
-  version_number = '5.4.1'
+  version_number = '5.5'
   !
   CALL init_clocks(.TRUE.)
   !

EPW/src/io_eliashberg.f90

@@ -144,7 +144,7 @@
       ! anisotropic case
       IF (temp < 10.d0) THEN
         WRITE(name1, 101) TRIM(prefix), '.imag_aniso_00', temp
-      ELSEIF (temp >= 10.d0) THEN
+      ELSEIF (temp >= 10.d0 .AND. temp < 100.d0) THEN
         WRITE(name1, 102) TRIM(prefix), '.imag_aniso_0', temp
       ELSEIF (temp >= 100.d0) THEN
         WRITE(name1, 103) TRIM(prefix), '.imag_aniso_', temp

EPW/src/wan2bloch.f90

@@ -1868,7 +1868,7 @@
           na = MOD(irn - 1, nat) + 1
           !
           DO iw = 1, dims
-            CALL ZAXPY(nrr_k * 3, cfac(iw, na, ir), epmatwp(iw, :, :, 3 * (na - 1) + 1:3 * na, ir), 1, &
+            CALL ZAXPY(nbnd * nrr_k * 3, cfac(iw, na, ir), epmatwp(iw, :, :, 3 * (na - 1) + 1:3 * na, ir), 1, &
                  eptmp(iw, :, :, 3 * (na - 1) + 1:3 * na), 1)
           ENDDO
         ENDDO