This module is for the calculation of Auger rates via one-center approximation
Radial continuum-bound integral information from xatom
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer, | public | :: | n | ||||
| integer, | public, | dimension(:), allocatable | :: | k | |||
| integer, | public, | dimension(:), allocatable | :: | n1 | |||
| integer, | public, | dimension(:), allocatable | :: | l1 | |||
| integer, | public, | dimension(:), allocatable | :: | n2 | |||
| integer, | public, | dimension(:), allocatable | :: | l2 | |||
| integer, | public, | dimension(:), allocatable | :: | n3 | |||
| integer, | public, | dimension(:), allocatable | :: | l3 | |||
| integer, | public, | dimension(:), allocatable | :: | l4 | |||
| real(kind=long), | public, | dimension(:), allocatable | :: | r | |||
| real(kind=long), | public, | dimension(:), allocatable | :: | delta | |||
| real(kind=long), | public, | allocatable | :: | pmin(:,:) | |||
| real(kind=long), | public, | allocatable | :: | omin(:,:) | |||
| real(kind=long), | public, | allocatable | :: | smin(:,:) | |||
| integer, | public, | allocatable | :: | min_info(:,:) |
bound-continuum integral contribution
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer, | public | :: | val1 |
valence hole 1 |
|||
| integer, | public | :: | val2 |
valence hole 2 |
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| integer, | public | :: | hole |
refilled core hole |
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| real(kind=long), | public | :: | coef |
amplitude |
calculates Auger-Meitner decay transitions based on orbital energy differences
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(atom_set), | intent(in) | :: | a(:) | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(in) | :: | f | |||
| type(process_data), | intent(inout) | :: | s | |||
| character(len=*), | optional | :: | auger_fpath(:) |
Currently we use char*(128) in MC code |
calculates Auger-Meitner decay transitions based on orbital energy differences resolving individual spin configurations
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(atom_set), | intent(in) | :: | a(:) | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(in) | :: | f | |||
| type(process_data), | intent(inout) | :: | s | |||
| character(len=*), | optional | :: | auger_fpath(:) |
Currently we use char*(128) in MC code |
calculates Auger-Meitner decay transitions based on configuration interaction calculation
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(atom_set), | intent(in) | :: | a(:) | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(inout) | :: | f | |||
| type(grid3d), | intent(in) | :: | g | |||
| character(len=*), | optional | :: | auger_fpath(:) |
Currently we use char*(128) in MC code |
calculates Auger-Meitner decay transitions based on orbital energy differences resolving individual spin configurations and considering averaging over configuration
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(atom_set), | intent(in) | :: | a(:) | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(in) | :: | f | |||
| type(process_data), | intent(inout) | :: | s | |||
| character(len=*), | optional | :: | auger_fpath(:) |
Currently we use char*(128) in MC code |