sportran.current.units.stress¶
Functions
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Conversion factor for the viscosity to SI units when stress is in GPa. Notice that GPa are the units used for stress in cp.x *.str file. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress in GPa. |
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Conversion factor for the viscosity from GPUMD units to SI units. |
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Conversion factor for the viscosity from METAL LAMMPS units to SI units. |
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Conversion factor for the viscosity from Quantum Espresso PW units to SI units. |
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Conversion factor for the viscosity from REAL LAMMPS units to SI units. |
- sportran.current.units.stress.scale_kappa_GPa(TEMPERATURE, VOLUME)¶
Conversion factor for the viscosity to SI units when stress is in GPa. Notice that GPa are the units used for stress in cp.x *.str file. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress in GPa.
- sportran.current.units.stress.scale_kappa_gpumd(TEMPERATURE, VOLUME)¶
Conversion factor for the viscosity from GPUMD units to SI units. Note that units for stress and pressure, derived from energy [eV] and volume [A^3], are [eV/A^3]. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress is in units of eV / Angstrom^3 .
- sportran.current.units.stress.scale_kappa_metal(TEMPERATURE, VOLUME)¶
Conversion factor for the viscosity from METAL LAMMPS units to SI units. Stress is computed with https://docs.lammps.org/compute_pressure.html INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress in bars.
- sportran.current.units.stress.scale_kappa_qepw(TEMPERATURE, VOLUME)¶
Conversion factor for the viscosity from Quantum Espresso PW units to SI units. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress is in units of Ry / bohr_radius^3 .
- sportran.current.units.stress.scale_kappa_real(TEMPERATURE, VOLUME)¶
Conversion factor for the viscosity from REAL LAMMPS units to SI units. Stress is computed with https://docs.lammps.org/compute_pressure.html INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input stress in atmospheres.