in init_vars_from_schema the information for hybrid functionals when present are now read with WHAT = 'nowave'. The specific call of init_vars in read_file_new in not necessary anymore and it has been removed

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12987 c92efa57-630b-4861-b058-cf58834340f0

Modules/hdf5_qe.f90

@@ -71,7 +71,16 @@ module hdf5_qe
     call h5close_f(error)
   end subroutine finalize_hdf5
 
-  
+  subroutine h5_write_gvecs(hdf5desc, filename, nr1, nr2, nr3, ngm, gamma_only, mill) 
+   implicit none 
+   type (hdf5_type), intent(inout) :: hdf5desc
+   character(len=*), intent (in)   :: filename
+   integer, intent(in)             :: nr1, nr2, nr3, ngm
+   logical, intent(in)             :: gamma_only
+   integer,intent(in)              :: mill (3,ngm)
+   continue 
+  end subroutine h5_write_gvecs
+ 
   subroutine setup_file_property_hdf5(hdf5desc ,filename, hyperslab, write, kpoint)
    use parallel_include
    implicit none
@@ -110,7 +119,7 @@ module hdf5_qe
         CALL h5fcreate_f(filename, H5F_ACC_TRUNC_F, hdf5desc%file_id, error) 
       endif
     else
-        CALL h5fopen_f(filename, H5F_ACC_RDONLY_F, hdf5desc%file_id, error) ! create the file collectively
+        CALL h5fopen_f(filename, H5F_ACC_RDWR_F, hdf5desc%file_id, error) ! create the file collectively
         !CALL h5dopen_f(hdf5desc%file_id, hdf5desc%dsetname, hdf5desc%dset_id, error)
     endif
    endif

PW/src/pw_restart_new.f90

@@ -949,6 +949,7 @@ MODULE pw_restart_new
          lspin   = .TRUE.
          linit_mag   = .TRUE.
          lxc     = .TRUE.
+         lexx    = .TRUE.
          locc    = .TRUE.
          lbz     = .TRUE.
          lbs     = .TRUE.
@@ -964,6 +965,7 @@ MODULE pw_restart_new
          lspin   = .TRUE.
          linit_mag  = .TRUE.
          lxc     = .TRUE.
+         lexx    =.TRUE.
          locc    = .TRUE.
          lbz     = .TRUE.
          lbs     = .TRUE.

PW/src/read_file_new.f90

@@ -36,7 +36,7 @@ SUBROUTINE read_file()
   USE klist,                ONLY : init_igk
   USE gvect,                ONLY : ngm, g
   USE gvecw,                ONLY : gcutw
-#if defined __HDF5
+#if defined (__HDF5)
   USE hdf5_qe
 #endif
   !
@@ -174,8 +174,6 @@ SUBROUTINE read_xml_file ( )
   CALL errore( 'read_xml_file ', 'unable to determine schema version', ABS(ierr) )
   !
   ! ... here we read the variables that dimension the system
-  ! ... in parallel execution, only root proc reads the file
-  ! ... and then broadcasts the values to all other procs
   !
   CALL init_vars_from_schema( 'dim',   ierr , output_obj, input_obj, parinfo_obj, geninfo_obj )
   CALL errore( 'read_xml_file ', 'problem reading file ' // &
@@ -332,10 +330,6 @@ SUBROUTINE read_xml_file ( )
      !
   END DO
   !
-  ! ... read info needed for hybrid functionals
-  !
-  CALL init_vars_from_schema( 'exx', ierr, output_obj, input_obj, parinfo_obj, geninfo_obj ) 
-  !
   ! ... recalculate the potential
   !
   CALL v_of_rho( rho, rho_core, rhog_core, &