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vector3 | r |
| | guess for center of localized wannier function
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double | sigma |
| | width parameter of Gaussian orbital of current l
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int | sp |
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int | atom |
| | species code (<0 if not using a pseudopotential atomic orbital) and atom number (<0 if not using an orbital located on an atom)
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int | numericalOrbIndex |
| | index to a numerical orbital (<0 if not using a numerical orbital)
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DOS::Weight::OrbitalDesc | orbitalDesc |
| | orbital code
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double | coeff |
| | coefficient (prefactor) in contribution to trial orbital (1 if only using a single orbital)
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The documentation for this struct was generated from the following file:
