| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | foden.f90 | 18 subroutine fodenmak(uhf,nmo,eps,occ,efermi) argument
23 real*8 efermi local
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| H A D | stm.f | 25 subroutine stmpic(n,nmo,nbf,at,xyz,C,efermi,emo,basis) argument
34 real(wp) xyz(3,n),emo(nmo),C(nbf,nmo),efermi local
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| /dports/science/py-ase/ase-3.22.0/ase/calculators/vasp/ |
| H A D | vasp_auxiliary.py | 253 def __init__(self, doscar='DOSCAR', efermi=0.0): argument
272 def _set_efermi(self, efermi): argument
285 efermi = property(_get_efermi, _set_efermi, None, "Fermi energy.") variable in VaspDos
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| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | transition_rate.F | 8 subroutine transition_rate( ng, psi, ek, efermi, argument
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| /dports/science/berkeleygw/BGW-2.0.0/Common/ |
| H A D | input_utils.f90 | 34 subroutine assess_degeneracies(kp, kp_el_extra, nband, efermi, tolerance, sig, ncore_excl) argument
38 real(DP), intent(in) :: efermi local
118 …subroutine find_efermi(rfermi, efermi, efermi_input, kp, nband, minband, label, should_search, sho… argument
121 real(DP), intent(inout) :: efermi !< The computed Fermi energy local
346 subroutine calc_qtot(kp, celvol, efermi, qtot, omega_plasma, write7) argument
349 real(DP), intent(in) :: efermi local
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| H A D | typedefs.f90 | 314 real(DP) :: efermi !< Fermi level component
477 real(DP) :: efermi component
711 real(DP) :: efermi !< computed efermi component
935 real(DP) :: efermi !< Fermi energy found by the code after any shift component
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/electronic_structure/ |
| H A D | bandstructure.py | 208 efermi, argument
750 efermi, argument
1137 def get_reconstructed_band_structure(list_bs, efermi=None): argument
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| H A D | boltztrap.py | 923 def get_symm_bands(self, structure, efermi, kpt_line=None, labels_dict=None): argument
1815 def parse_transdos(path_dir, efermi, dos_spin=1, trim_dos=False): argument
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| /dports/science/py-ase/ase-3.22.0/ase/dft/ |
| H A D | bandgap.py | 19 eigenvalues=None, efermi=None, kpts=None): argument
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| /dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/ |
| H A D | plot_Zn2O2_band.py | 37 efermi = (6.584102 + 9.819742) / 2.0 - velec variable
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | sumpdos.f90 | 32 REAL :: efermi = 0.0d0 ! translate the input grid variable
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| H A D | fermisurface.f90 | 217 REAL(dp) :: emin, emax, efermi local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/simple_transport/src/ |
| H A D | fermi_int_1.f90 | 44 double precision :: wk, at(3,3), bg(3,3), efermi, alat, & variable
75 & efermi, invtau, alat, vol, nthreads, lsoc, & local
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| H A D | fermi_int_0.f90 | 41 double precision :: wk, at(3,3), bg(3,3), efermi, alat, & variable
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| H A D | ef.f90 | 1 program efermi program
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | stm_images.F | 107 REAL(KIND=dp) :: efermi, ref_energy local
257 occupation, efermi, stm_biases, stm_th_torb, particles, & argument
266 REAL(KIND=dp) :: efermi local
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| H A D | qs_energy_types.F | 58 efermi, & ! Fermi energy component
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | stm_images.F | 107 REAL(KIND=dp) :: efermi, ref_energy local
257 occupation, efermi, stm_biases, stm_th_torb, particles, & argument
266 REAL(KIND=dp) :: efermi local
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| H A D | qs_energy_types.F | 57 efermi, & ! Fermi energy component
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/XSpectra/src/ |
| H A D | molecularnexafs.f90 | 194 REAL(DP) :: efermi(MAXAT) ! Fermi level used in xspectra.x variable
211 NAMELIST /NEXAFS/ dosingleatoms, erangenexafs, nptnexafs, efermi, evacuum, & local
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| /dports/science/py-ase/ase-3.22.0/ase/calculators/ |
| H A D | singlepoint.py | 85 efermi=None, bzkpts=None, ibzkpts=None, bz2ibz=None, argument
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| /dports/science/gabedit/GabeditSrc251_300720/src/Utils/ |
| H A D | UtilsVASP.c | 549 gdouble efermi = 0; in read_efermi() local
663 gdouble efermi; in read_bands_vasp_xml_file() local
780 gdouble efermi; in read_dos_vasp_xml_file() local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | postahc.f90 | 66 REAL(DP) :: efermi variable
154 ahc_nbndskip, ahc_dir, flvec, eta, temp_kelvin, efermi, amass_amu local
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| /dports/science/berkeleygw/BGW-2.0.0/MeanField/EPM/ |
| H A D | epm2bgw.f90 | 83 & gcutm, abstol, temperature, efermi, & variable
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| /dports/science/py-ase/ase-3.22.0/ase/calculators/siesta/ |
| H A D | siesta.py | 121 def resolve_band_structure(path, kpts, energies, efermi): argument
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