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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 Dtest_decorators.py16 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"),
H A Dtest_factories.py55 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,
H A Dtest_inputs.py348 … 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]
/dports/science/py-abipy/abipy-0.9.0/abipy/examples/flows/
H A Drun_ht_si_ebands.py31 multi = abilab.ebands_input(structure, pseudos, kppa=40, dos_kppa=80,
/dports/science/py-abipy/abipy-0.9.0/abipy/abio/
H A Dfactories.py202 multi = ebands_input(structure, pseudos,
210 def ebands_input(structure, pseudos, function
379 ebands_multi = ebands_input(structure, pseudos,
/dports/science/py-abipy/abipy-0.9.0/abipy/scripts/
H A Dabinp.py181 multi = factories.ebands_input(structure, pseudos,
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/abinit/
H A Dinputs.py293 multi = ebands_input(
311 def ebands_input( function
/dports/science/py-abipy/abipy-0.9.0/abipy/integration_tests/
H A Ditest_ebands.py357 multi = abilab.ebands_input(structure, pseudos, kppa=20, nscf_nband=6, ndivsm=5,