Searched refs:ebands_input (Results 1 – 8 of 8) sorted by relevance
/dports/science/py-abipy/abipy-0.9.0/abipy/abio/tests/ |
H A D | test_decorators.py | 16 self.si_ebands = ebands_input(si_structure, abidata.pseudos("14si.pspnc"), ecut=2, kppa=10) 23 self.nio_ebands = ebands_input(nio_structure, abidata.pseudos("28ni.paw", "8o.2.paw"),
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H A D | test_factories.py | 55 multi = ebands_input(self.si_structure, self.si_pseudo, kppa=10, ecut=2) 74 multi_dos = ebands_input(self.si_structure, self.si_pseudo, nscf_nband=10, kppa=10, ecut=2, 82 multi_dos = ebands_input(self.si_structure, self.si_pseudo, nscf_nband=10, kppa=10, ecut=2,
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H A D | test_inputs.py | 348 … inp = ebands_input(abidata.cif_file("si.cif"), abidata.pseudos("14si.pspnc"), kppa=10, ecut=2)[0] 588 … inp = ebands_input(abidata.cif_file("si.cif"), abidata.pseudos("14si.pspnc"), kppa=10, ecut=2)[0]
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/dports/science/py-abipy/abipy-0.9.0/abipy/examples/flows/ |
H A D | run_ht_si_ebands.py | 31 multi = abilab.ebands_input(structure, pseudos, kppa=40, dos_kppa=80,
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/dports/science/py-abipy/abipy-0.9.0/abipy/abio/ |
H A D | factories.py | 202 multi = ebands_input(structure, pseudos, 210 def ebands_input(structure, pseudos, function 379 ebands_multi = ebands_input(structure, pseudos,
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/dports/science/py-abipy/abipy-0.9.0/abipy/scripts/ |
H A D | abinp.py | 181 multi = factories.ebands_input(structure, pseudos,
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/abinit/ |
H A D | inputs.py | 293 multi = ebands_input( 311 def ebands_input( function
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/dports/science/py-abipy/abipy-0.9.0/abipy/integration_tests/ |
H A D | itest_ebands.py | 357 multi = abilab.ebands_input(structure, pseudos, kppa=20, nscf_nband=6, ndivsm=5,
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