Commit bffdbce7 authored by Han Yang's avatar Han Yang
Browse files

Update pdep_db.f90

parent 1c3f99f8
......@@ -43,7 +43,7 @@ MODULE pdep_db
!
WRITE(label_j,'(i9.9)') j
WRITE(label_q,'(i9.9)') iq_
fname = "Q"//TRIM(ADJUSTL(label_q))//"E"//TRIM(ADJUSTL(label_j))//".xml"
fname = "Q"//TRIM(ADJUSTL(label_q))//"E"//TRIM(ADJUSTL(label_j))//".json"
!
END SUBROUTINE
!
......@@ -63,7 +63,7 @@ MODULE pdep_db
USE westcom, ONLY : wstat_calculation,n_pdep_times,n_pdep_eigen,n_pdep_maxiter,n_dfpt_maxiter, &
& n_steps_write_restart,n_pdep_restart_from_itr,n_pdep_read_from_file,trev_pdep, &
& tr2_dfpt,l_deflate,l_kinetic_only,ev,dvg,west_prefix,trev_pdep_rel, &
& l_minimize_exx_if_active,l_use_ecutrho,wstat_save_dir,logfile,nlq,dfft_io,npwqx,npwq
& l_minimize_exx_if_active,l_use_ecutrho,wstat_save_dir,logfile
USE pdep_io, ONLY : pdep_merge_and_write_G
USE io_push, ONLY : io_push_bar
USE distribution_center, ONLY : pert
......@@ -109,11 +109,6 @@ MODULE pdep_db
CHARACTER(LEN=:),ALLOCATABLE :: eigenpot_filename(:)
CHARACTER(LEN=:),ALLOCATABLE :: fname
LOGICAL :: lexists
COMPLEX(DP) :: tot
INTEGER :: i
COMPLEX(DP),ALLOCATABLE :: tmp_dvg(:)
ALLOCATE(tmp_dvg(npwqx))
tmp_dvg = CMPLX(0.0_DP,0.0_DP,KIND=DP)
!
! Assign defaut to optional parameters
!
......@@ -212,7 +207,7 @@ MODULE pdep_db
global_j = pert%l2g(local_j)
IF(global_j>n_pdep_eigen) CYCLE
!
fname = TRIM(ADJUSTL(wstat_save_dir)) // "/"// TRIM(ADJUSTL(eigenpot_filename(global_j)))
fname = TRIM(ADJUSTL(wstat_save_dir)) // "/"// TRIM(ADJUSTL(eigenpot_filename(global_j)))
CALL pdep_merge_and_write_G(fname,dvg(:,local_j),iq_)
!
ENDDO
......
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