stress.F90 File Reference

Go to the source code of this file.

Modules
module	stress_oct_m
	This module implements the calculation of the stress tensor.

Functions/Subroutines
subroutine, public	stress_oct_m::stress_calculate (namespace, gr, hm, st, ions, ks, ext_partners)
	This computes the total stress on the lattice. More...
subroutine	stress_oct_m::stress_from_kinetic (gr, space, hm, st, symm, rcell_volume, stress_kin)
	Computes the contribution to the stress tensor from the kinetic energy. More...
subroutine	stress_oct_m::stress_from_hartree (gr, space, volume, vh, grad_vh, ehartree, stress_Hartree)
	Computes the contribution to the stress tensor from the Hartree energy. More...
subroutine	stress_oct_m::stress_from_xc (energy, rcell_volume, periodic_dim, stress_xc)
	Computes the contribution to the stress tensor from the xc energy. More...
subroutine	stress_oct_m::stress_from_xc_nlcc (rcell_volume, gr, st, ions, vxc, stress_xc_nlcc)
	Computes the NLCC contribution to the stress tensor from the xc energy. More...
subroutine	stress_oct_m::stress_from_pseudo_nonloc (gr, st, hm, ions, stress_ps_nl)
	Computes the contribution to the stress tensor from the nonlocal part of the pseudopotentials. More...
subroutine	stress_oct_m::stress_from_pseudo_local (gr, st, hm, ions, rho_total, vh, grad_vh, stress_ps_local)
	Computes the contribution from the local part of the pseudopotential. More...
subroutine	stress_oct_m::epot_local_pseudopotential_sr (mesh, ions, iatom, vpsl, rvpsl)
subroutine	stress_oct_m::stress_from_hubbard (namespace, gr, st, hm, space, rcell_volume, stress_hubbard)
	Computes the contribution to the stress tensor from the Hubbard energy. More...
subroutine, public	stress_oct_m::output_stress (iunit, space_dim, stress_tensors, all_terms)
subroutine, public	stress_oct_m::output_pressure (iunit, space_dim, total_stress_tensor)
subroutine	stress_oct_m::print_stress_tensor (ounit, space_dim, tensor)