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Searched refs:n_scf_steps (Results 1 – 13 of 13) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dsave_in_electrons.f9016 USE control_flags, ONLY: n_scf_steps, scf_error
25 n_scf_steps = iter
H A Dadd_qexsd_step.f9028 USE control_flags,ONLY: nstep, n_scf_steps, scf_error, conv_elec
100 force/e2, sigma/e2, conv_elec, n_scf_steps, scf_error, &
H A Delectrons.f90382 USE control_flags, ONLY : n_scf_steps, scf_error
851 n_scf_steps = iter
993 n_scf_steps = iter
H A Dpw_restart_new.f9071 llondon, lxdm, ts_vdw, scf_error, n_scf_steps
250 n_scf_steps_ = n_scf_steps
258 n_scf_steps_ = n_scf_steps
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dqexsd.f90448 … stress, scf_has_converged, n_scf_steps, scf_error, efieldcorr, potstat_contr, & argument
458 INTEGER ,INTENT(IN) :: i_step, max_steps, ntyp, nat, n_scf_steps, ityp(:) local
480 CALL qes_init( scf_conv_obj,"scf_conv", scf_has_converged, n_scf_steps, scf_error )
H A Dcontrol_flags.f90182 n_scf_steps ! number of scf iterations to reach convergence variable
H A Dqexsd_init.f9059 SUBROUTINE qexsd_init_convergence_info(obj, n_scf_steps, scf_has_converged, scf_error, & argument
65 INTEGER, INTENT(IN) :: n_scf_steps local
77 call qes_init (scf_conv, "scf_conv", scf_has_converged, n_scf_steps, scf_error)
H A Dqes_init_module.f902667 SUBROUTINE qes_init_scf_conv(obj, tagname, convergence_achieved, n_scf_steps, scf_error) argument
2674 INTEGER,INTENT(IN) :: n_scf_steps local
2682 obj%n_scf_steps = n_scf_steps
H A Dqes_types_module.f90904 INTEGER :: n_scf_steps component
H A Dqes_write_module.f902085 CALL xml_addCharacters(xp, obj%n_scf_steps)
H A Dqes_bcast_module.f901909 CALL mp_bcast(obj%n_scf_steps, ionode_id, comm)
H A Dqes_read_module.f908996 CALL extractDataContent(tmp_node, obj%n_scf_steps, IOSTAT = iostat_ )
/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/
H A Dcp_restart_new.f90257 scf_has_converged = .FALSE., n_scf_steps=0, scf_error=0.0_dp, &