eonc::neb_options_t::solid_state_options_t Struct Reference

Interior images relax a lower-triangular cell with the atoms. More...

#include <ParametersOptions.h>

Public Attributes
bool	enabled {false}
double	weight {1.0}
double	pressure {0.0}
	Hydrostatic pressure in eV/Angstrom^3.

Detailed Description

Interior images relax a lower-triangular cell with the atoms.

doi:10.1063/1.3684549

Definition at line 616 of file ParametersOptions.h.

Member Data Documentation

enabled

bool eonc::neb_options_t::solid_state_options_t::enabled {false}

Definition at line 617 of file ParametersOptions.h.

{false};

pressure

double eonc::neb_options_t::solid_state_options_t::pressure {0.0}

Hydrostatic pressure in eV/Angstrom^3.

Positive pressure favors a smaller cell. Zero keeps the potential-energy band.

Definition at line 621 of file ParametersOptions.h.

{0.0};

weight

double eonc::neb_options_t::solid_state_options_t::weight {1.0}

Definition at line 618 of file ParametersOptions.h.

{1.0};

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

• /home/runner/work/eOn/eOn/include/eon/ParametersOptions.h