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PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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Public Member Functions | |
| def | __init__ (self, wf_ptr, kpts, kws) |
Public Member Functions inherited from pawpyseed.core.wavefunction.PseudoWavefunction | |
| def | __init__ (self, filename="WAVECAR", vr="vasprun.xml") |
| def | pseudoprojection (self, band_num, basis) |
Public Attributes | |
| wf_ptr | |
| kpts | |
| kws | |
| ncl | |
Public Attributes inherited from pawpyseed.core.wavefunction.PseudoWavefunction | |
| kws | |
| kpts | |
| wf_ptr | |
| ncl | |
| def pawpyseed.core.projector.CopyPseudoWavefunction.__init__ | ( | self, | |
| wf_ptr, | |||
| kpts, | |||
| kws | |||
| ) |
| pawpyseed.core.projector.CopyPseudoWavefunction.kpts |
| pawpyseed.core.projector.CopyPseudoWavefunction.kws |
| pawpyseed.core.projector.CopyPseudoWavefunction.ncl |
| pawpyseed.core.projector.CopyPseudoWavefunction.wf_ptr |
1.8.11