states_elec_oct_m::stress_t Type Reference

Detailed Description

Definition at line 201 of file states_elec.F90.

Private Attributes
real(real64), dimension(3, 3)	total = M_ZERO
real(real64), dimension(3, 3)	kinetic = M_ZERO
real(real64), dimension(3, 3)	hartree = M_ZERO
real(real64), dimension(3, 3)	xc = M_ZERO
real(real64), dimension(3, 3)	ps_local = M_ZERO
real(real64), dimension(3, 3)	ps_nl = M_ZERO
real(real64), dimension(3, 3)	ion_ion = M_ZERO
real(real64), dimension(3, 3)	vdw = M_ZERO
real(real64), dimension(3, 3)	hubbard = M_ZERO
real(real64)	kinetic_sumrule
	Violation of the kinetic pressure sumrule. More...
real(real64)	hartree_sumrule
	Violation of the Hartree pressure sumrule. More...

Member Data Documentation

total

real(real64), dimension(3,3) states_elec_oct_m::stress_t::total = M_ZERO

private

Definition at line 202 of file states_elec.F90.

kinetic

real(real64), dimension(3,3) states_elec_oct_m::stress_t::kinetic = M_ZERO

private

Definition at line 203 of file states_elec.F90.

hartree

real(real64), dimension(3,3) states_elec_oct_m::stress_t::hartree = M_ZERO

private

Definition at line 204 of file states_elec.F90.

xc

real(real64), dimension(3,3) states_elec_oct_m::stress_t::xc = M_ZERO

private

Definition at line 205 of file states_elec.F90.

ps_local

real(real64), dimension(3,3) states_elec_oct_m::stress_t::ps_local = M_ZERO

private

Definition at line 206 of file states_elec.F90.

ps_nl

real(real64), dimension(3,3) states_elec_oct_m::stress_t::ps_nl = M_ZERO

private

Definition at line 207 of file states_elec.F90.

ion_ion

real(real64), dimension(3,3) states_elec_oct_m::stress_t::ion_ion = M_ZERO

private

Definition at line 208 of file states_elec.F90.

vdw

real(real64), dimension(3,3) states_elec_oct_m::stress_t::vdw = M_ZERO

private

Definition at line 209 of file states_elec.F90.

hubbard

real(real64), dimension(3,3) states_elec_oct_m::stress_t::hubbard = M_ZERO

private

Definition at line 210 of file states_elec.F90.

kinetic_sumrule

real(real64) states_elec_oct_m::stress_t::kinetic_sumrule

private

Violation of the kinetic pressure sumrule.

Definition at line 212 of file states_elec.F90.

hartree_sumrule

real(real64) states_elec_oct_m::stress_t::hartree_sumrule

private

Violation of the Hartree pressure sumrule.

Definition at line 213 of file states_elec.F90.

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

• states/states_elec.F90