#
# UNIT conversion factors
#

from math import pi

fu2THz = 2*pi*15.6330214     # THz
fu2eV  = fu2THz * 4.136*10**-3  # eV
fu2meV = fu2THz * 4.136         # meV
fu2cm1 = fu2THz * 33.356
vasp2cm1 = 521.4708336735473    # ev/ang -> cm^-1
factor = vasp2cm1

hbar = 4.1356675*10**-15 / (2*pi) # eV.s
k_boltz = 1.38062*10**-23 #J/K
k_boltz = k_boltz/(1.602*10**-19) #eV/K 

conv_factor_to_thz = {
'VASP'      : 15.633302,
'WIEN2k'    : 3.44595837,
'QE'        : 108.97077,
'ABINIT'    : 21.49068,
'SIESTA'    : 21.49068,
'Elk'       : 154.10794,
'CRYSTAL'   : 15.633302,
'DFTB+'     : 154.10794,
'TURBOMOLE' : 154.10794,
}

f1cdd155f699d4b3c3ed4b1fedd4b9c11005f127
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<mask token>
fu2THz = 2 * pi * 15.6330214
fu2eV = fu2THz * 4.136 * 10 ** -3
fu2meV = fu2THz * 4.136
fu2cm1 = fu2THz * 33.356
vasp2cm1 = 521.4708336735473
factor = vasp2cm1
hbar = 4.1356675 * 10 ** -15 / (2 * pi)
k_boltz = 1.38062 * 10 ** -23
k_boltz = k_boltz / (1.602 * 10 ** -19)
conv_factor_to_thz = {'VASP': 15.633302, 'WIEN2k': 3.44595837, 'QE': 
    108.97077, 'ABINIT': 21.49068, 'SIESTA': 21.49068, 'Elk': 154.10794,
    'CRYSTAL': 15.633302, 'DFTB+': 154.10794, 'TURBOMOLE': 154.10794}

from math import pi
fu2THz = 2 * pi * 15.6330214
fu2eV = fu2THz * 4.136 * 10 ** -3
fu2meV = fu2THz * 4.136
fu2cm1 = fu2THz * 33.356
vasp2cm1 = 521.4708336735473
factor = vasp2cm1
hbar = 4.1356675 * 10 ** -15 / (2 * pi)
k_boltz = 1.38062 * 10 ** -23
k_boltz = k_boltz / (1.602 * 10 ** -19)
conv_factor_to_thz = {'VASP': 15.633302, 'WIEN2k': 3.44595837, 'QE': 
    108.97077, 'ABINIT': 21.49068, 'SIESTA': 21.49068, 'Elk': 154.10794,
    'CRYSTAL': 15.633302, 'DFTB+': 154.10794, 'TURBOMOLE': 154.10794}

#
# UNIT conversion factors
#

from math import pi

fu2THz = 2*pi*15.6330214     # THz
fu2eV  = fu2THz * 4.136*10**-3  # eV
fu2meV = fu2THz * 4.136         # meV
fu2cm1 = fu2THz * 33.356
vasp2cm1 = 521.4708336735473    # ev/ang -> cm^-1
factor = vasp2cm1

hbar = 4.1356675*10**-15 / (2*pi) # eV.s
k_boltz = 1.38062*10**-23 #J/K
k_boltz = k_boltz/(1.602*10**-19) #eV/K 

conv_factor_to_thz = {
'VASP'      : 15.633302,
'WIEN2k'    : 3.44595837,
'QE'        : 108.97077,
'ABINIT'    : 21.49068,
'SIESTA'    : 21.49068,
'Elk'       : 154.10794,
'CRYSTAL'   : 15.633302,
'DFTB+'     : 154.10794,
'TURBOMOLE' : 154.10794,
}
