scf_control_types::gce_type Type Reference

Data Fields
logical	do_gce = .FALSE.
real(kind=dp)	target_workfunction = 0.16_dp
real(kind=dp)	ref_esp = 0.0_dp
real(kind=dp)	mixing_coef = 0.3_dp
real(kind=dp)	prev_workfunction = -1001.0_dp
real(kind=dp)	nelec = 0.0_dp

Detailed Description

Definition at line 158 of file scf_control_types.F.

Field Documentation

do_gce

logical scf_control_types::gce_type::do_gce = .FALSE.

Definition at line 159 of file scf_control_types.F.

target_workfunction

real(kind=dp) scf_control_types::gce_type::target_workfunction = 0.16_dp

Definition at line 160 of file scf_control_types.F.

ref_esp

real(kind=dp) scf_control_types::gce_type::ref_esp = 0.0_dp

Definition at line 160 of file scf_control_types.F.

mixing_coef

real(kind=dp) scf_control_types::gce_type::mixing_coef = 0.3_dp

Definition at line 160 of file scf_control_types.F.

prev_workfunction

real(kind=dp) scf_control_types::gce_type::prev_workfunction = -1001.0_dp

Definition at line 160 of file scf_control_types.F.

nelec

real(kind=dp) scf_control_types::gce_type::nelec = 0.0_dp

Definition at line 160 of file scf_control_types.F.

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The documentation for this type was generated from the following file:

• scf_control_types.F