ENERGYPARTS_TYPE Derived Type
type, public :: ENERGYPARTS_TYPE
Components
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| real(kind=8), | public, | allocatable | :: | EXC(:,:) |
exchange-correlation energy |
||
| real(kind=8), | public, | allocatable | :: | ECOU(:,:) |
Coulomb energy |
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| real(kind=8), | public, | allocatable | :: | EPOTIN(:) |
energy of the input potential (epotinb) |
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| real(kind=8), | public, | allocatable | :: | ESPC(:,:,:) |
single particle core energy |
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| real(kind=8), | public, | allocatable | :: | ESPV(:,:,:) |
single particle valence energy (changed for the relativistic case) |