diff --git a/PW/read_file.f90 b/PW/read_file.f90 index 466941b03..75af17783 100644 --- a/PW/read_file.f90 +++ b/PW/read_file.f90 @@ -44,7 +44,7 @@ SUBROUTINE read_file() USE xml_io_base, ONLY : pp_check_file USE uspp, ONLY : okvan, becsum USE paw_variables, ONLY : okpaw, ddd_PAW - USE paw_onecenter, ONLY : paw_potential + USE paw_onecenter, ONLY : paw_potential, paw_symmetrize USE paw_init, ONLY : paw_init_onecenter, allocate_paw_internals USE ldaU, ONLY : eth ! @@ -244,7 +244,9 @@ SUBROUTINE read_file() ! CALL init_us_1() IF (okpaw) then - CALL compute_becsum(1) + !CALL compute_becsum(1) + rho%bec = becsum + CALL PAW_symmetrize(rho%bec) CALL PAW_potential(rho%bec, ddd_PAW) ENDIF CALL newd()