Commit 78f9bdae authored by Iurii Timrov's avatar Iurii Timrov

The input parameters (for restarting DFPT+U calculations) read_dns_bare

and d2ns_type were missing in the PH input namelist, and moreover they
were not broadcasted.
parent 38f1943a
Pipeline #57828426 passed with stage
in 7 minutes and 13 seconds
Problems fixed in development branch :
* option "write_unkg" of pw2wannier90.f90 wasn't working as expected
* The input parameters (for restarting DFPT+U calculations) read_dns_bare
and d2ns_type were missing in the PH input namelist, and moreover they
were not broadcasted.
Incompatible changes in development branch :
* fractional translations "ftau" in FFT grid units no longer existing as
......
......@@ -42,6 +42,7 @@ subroutine bcast_ph_input ( )
USE YAMBO, ONLY : elph_yambo,dvscf_yambo
! YAMBO <
USE elph_tetra_mod, ONLY : lshift_q
USE ldaU_ph, ONLY : read_dns_bare, d2ns_type
implicit none
!
......@@ -67,6 +68,7 @@ subroutine bcast_ph_input ( )
call mp_bcast (only_wfc, meta_ionode_id, world_comm )
call mp_bcast (only_init, meta_ionode_id, world_comm )
call mp_bcast (search_sym, meta_ionode_id, world_comm)
call mp_bcast (read_dns_bare, meta_ionode_id, world_comm)
! YAMBO >
call mp_bcast (elph_yambo, meta_ionode_id, world_comm)
call mp_bcast (dvscf_yambo, meta_ionode_id, world_comm)
......@@ -119,6 +121,7 @@ subroutine bcast_ph_input ( )
call mp_bcast (tmp_dir, meta_ionode_id, world_comm )
call mp_bcast (prefix, meta_ionode_id, world_comm )
call mp_bcast (electron_phonon, meta_ionode_id, world_comm )
call mp_bcast (d2ns_type, meta_ionode_id, world_comm )
!
! derived type (one bit at a time)
!
......
......@@ -82,6 +82,8 @@ SUBROUTINE dynmat_hub_bare
!
CALL start_clock ( 'dynmat_hub_bare' )
!
ios = 0
!
ldim = 2*Hubbard_lmax + 1
!
ALLOCATE (dyn_hub_bare(3*nat,3*nat))
......
......@@ -118,7 +118,7 @@ SUBROUTINE dynmat_hub_scf (irr, nu_i0, nper)
! interrupted before the call of this routine)
!
IF (rec_code_read==10) THEN
WRITE(stdout,*) 'rec_code_read', rec_code_read
!WRITE(stdout,*) 'rec_code_read', rec_code_read
CALL dnsq_scf (nper, lmetq0, nu_i0, irr, .true.)
ENDIF
!
......
......@@ -119,7 +119,7 @@ SUBROUTINE phq_readin()
elph_nbnd_min, elph_nbnd_max, el_ph_ngauss, &
el_ph_nsigma, el_ph_sigma, electron_phonon, &
q_in_band_form, q2d, qplot, low_directory_check, &
lshift_q
lshift_q, read_dns_bare, d2ns_type
! tr2_ph : convergence threshold
! amass : atomic masses
......
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