The cp2k units list
CP2K Available Units of Measurement
Undefined
If the default unit of a keyword is explicitly undefined, all possible units of measurement can be used to define a proper value.
- internal_cp2k
Energy
Possible units of measurement for Energies. The [energy] entry acts like a dummy flag (assumes the unit of measurement of energy is in internal units), useful for dimensional analysis.
- hartree
- wavenumber_e
- joule
- kcalmol
- kjmol
- Ry
- eV
- K_e
- energy
Length
Possible units of measurement for Lengths. The [length] entry acts like a dummy flag (assumes the unit of measurement of length is in internal units), useful for dimensional analysis.
- bohr
- m
- pm
- nm
- angstrom
- length
Temperature
Possible units of measurement for Temperature. The [temperature] entry acts like a dummy flag (assumes the unit of measurement of temperature is in internal units), useful for dimensional analysis.
- K
- au_temp
- temperature
Pressure
Possible units of measurement for Pressure. The [pressure] entry acts like a dummy flag (assumes the unit of measurement of pressure is in internal units), useful for dimensional analysis.
- bar
- atm
- kbar
- Pa
- MPa
- GPa
- au_p
- pressure
Angle
Possible units of measurement for Angles. The [angle] entry acts like a dummy flag (assumes the unit of measurement of angle is in internal units), useful for dimensional analysis.
- rad
- deg
- angle
Time
Possible units of measurement for Time. The [time] entry acts like a dummy flag (assumes the unit of measurement of time is in internal units), useful for dimensional analysis.
- s
- fs
- ps
- au_t
- wavenumber_t
- time
Mass
Possible units of measurement for Masses. The [mass] entry acts like a dummy flag (assumes the unit of measurement of mass is in internal units), useful for dimensional analysis.
- kg
- amu
- m_e
- mass
Potential
Possible units of measurement for potentials. The [potential] entry acts like a dummy flag (assumes the unit of measurement of potential is in internal units), useful for dimensional analysis.
- volt
- au_pot
- potential