Searched refs:av_scheme (Results 1 – 4 of 4) sorted by relevance
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ralda/ |
H A D | test_ralda_energy_Si.py | 50 fxc = FXCCorrelation(calc, xc='rALDA', av_scheme='wavevector') 53 fxc = FXCCorrelation(calc, xc='rAPBE', av_scheme='wavevector') 56 fxc = FXCCorrelation(calc, xc='JGMs', av_scheme='wavevector', 60 fxc = FXCCorrelation(calc, xc='CP_dyn', av_scheme='wavevector',
|
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/ |
H A D | fxckernel_calc.py | 13 if self.av_scheme is not None: 14 self.tag += '_' + self.av_scheme + '_nspins' + str(self.nspins)
|
H A D | g0w0.py | 36 av_scheme=None, Eg=None, argument 223 self.av_scheme = av_scheme 227 if self.av_scheme is not None: 228 assert self.av_scheme == 'wavevector' 337 p('Averaging scheme:', self.av_scheme)
|
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/ |
H A D | fxc.py | 41 av_scheme=None, argument 69 self.av_scheme = av_scheme # Either 'density' or 'wavevector' 78 if self.av_scheme is not None: 80 tag += '_' + self.av_scheme 108 if self.av_scheme == 'wavevector': 272 if self.av_scheme == 'density': 1751 if self.av_scheme is None: 1752 self.av_scheme = 'density' 1761 if self.av_scheme == 'density': 1767 self.av_scheme = 'wavevector' [all …]
|