sportran.current.units.electric¶
Functions
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Conversion factor for the thermal conductivity from GPUMD units to SI units. |
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Conversion factor for the thermal conductivity from METAL LAMMPS units to SI units. |
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Conversion factor for the electrical conductivity from Quantum Espresso PW units to SI units. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input current is in units of electrons_charge * a_0 / tau_{a.u.} . Current is EXTENSIVE. a0 = 5.2918 10^{-11}m tau_{a.u.} = 4.8378 10^{-17} s. |
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Conversion factor for the electrical conductivity from REAL LAMMPS units to SI units. |
- sportran.current.units.electric.scale_kappa_gpumd(TEMPERATURE, VOLUME)¶
Conversion factor for the thermal conductivity from GPUMD units to SI units. Note that units for time are derived from energy [eV], mass [amu] and position [A]. Therefore, units for square velocity are [eV/amu]. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3]
- sportran.current.units.electric.scale_kappa_metal(TEMPERATURE, VOLUME)¶
Conversion factor for the thermal conductivity from METAL LAMMPS units to SI units. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input current is in units of electrons_charge * Angstrom/picosecond. Current is EXTENSIVE.
- sportran.current.units.electric.scale_kappa_qepw(TEMPERATURE, VOLUME)¶
Conversion factor for the electrical conductivity from Quantum Espresso PW units to SI units. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input current is in units of electrons_charge * a_0 / tau_{a.u.} . Current is EXTENSIVE.
a0 = 5.2918 10^{-11}m tau_{a.u.} = 4.8378 10^{-17} s
- sportran.current.units.electric.scale_kappa_real(TEMPERATURE, VOLUME)¶
Conversion factor for the electrical conductivity from REAL LAMMPS units to SI units. INPUT: TEMPERATURE [K] VOLUME cell VOLUME [A^3] Input current is in units of electrons_charge * Angstrom/femtosecond. Current is EXTENSIVE.