Source code for PAOFLOW.utils.constants


[docs]
K_BOLTZMAN_SI = 1.38066e-23  # J K^-1


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K_BOLTZMAN_AU = 3.1667e-6  # Hartree K^-1


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K_BOLTZMAN_M1_AU = 315795.26e0  # Hartree^-1 K


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FACTEM = 315795.26e0  # Hartree^-1 K


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H_OVER_TPI = 1.054571e-34  # J sec



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BOHR_RADIUS_SI = 0.529177e-10  # m


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BOHR_RADIUS_CM = 0.529177e-8  # cm


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BOHR_RADIUS_ANGS = 0.529177e0  # angstrom


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ELECTRONMASS_SI = 9.10953e-31  # Kg


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ELECTRONMASS_UMA = 5.4858e-4  # uma



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ELECTRONVOLT_SI = 1.6021892e-19  # J


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HBAR = 6.582119569e-16  # eV


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UMA_SI = 1.66057e-27  # Kg


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DEBYE_SI = 3.33564e-30  # Coulomb meter


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DEBYE_AU = 0.393427228  # e * Bohr


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AU_TO_VMM1 = 36.3609 * 10e10  # V/m


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ANGSTROM_AU = 1.889727e0  # au


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AU_TO_OHMCMM1 = 46000.0e0  # (ohm cm)^-1


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AU_KB = 294210.0e0  # Kbar


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KB_AU = 1.0e0 / 294210.0e0  # au


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AU = 27.211652e0  # eV


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RYD = 13.605826e0  # eV


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SCMASS = 1822.89e0  # uma to au


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UMA_AU = 1822.89e0  # au


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AU_TERAHERTZ = 2.418e-5  # THz


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TERAHERTZ = 2.418e-5  # from au to THz


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AU_SEC = 2.4189e-17  # sec


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SPEED_OF_LIGHT = 299792458.0  # m / s



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EPS0 = 1.0 / (4.0 * 3.14159265358979323846)  # vacuum dielectric constant in Ry


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RYTOEV = 13.6058e0  # conversion from Ry to eV


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EVTORY = 1.0 / 13.6058e0  # conversion from eV to Ry


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AMCONV = 1.66042e-24 / 9.1095e-28 * 0.5e0  # mass conversion: a.m.u to a.u. (Ry)


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UAKBAR = 147105.0e0  # pressure conversion from Ry/(a.u)^3 to K


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RYDCM1 = 13.6058 * 8065.5  # Rydberg to cm^-1


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DEGTORAD = (3.14159265358979323846) / (180)  # Degrees to radians


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CM1TOEV = 1.23981e-4  # cm^-1 to eV


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EVTOCM1 = 1.0 / 1.23981e-4  # eV to cm^-1



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E2 = 2.0  # e^2


# Logos

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PAO = 'PAO'


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p = '\u03c0'


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pp = p.encode('utf8')


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PAOPY = str(PAO) + str(pp)



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C = '\u00a9'


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CC = C.encode('utf8')



[docs]
LL = ['x', 'y', 'z']