SCALEVECIMP Subroutine
subroutine SCALEVECIMP(NUMIMP, NKILLATOM, BRAVAIS, LINTERFACE, LCARTESIMP, RIMPURITY, RKILL, DXIMP, DYIMP, DZIMP)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NUMIMP |
@# KKRtags: VORONOI KKRimp geometry Changes the impurity-atom coordinates from "internal" (Bravais-basis) to cartesian. Input: |
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| integer | :: | NKILLATOM |
@# KKRtags: VORONOI KKRimp geometry Changes the impurity-atom coordinates from "internal" (Bravais-basis) to cartesian. Input: |
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| real(kind=8) | :: | BRAVAIS(3,3) | ||||
| logical | :: | LINTERFACE | ||||
| logical | :: | LCARTESIMP | ||||
| real(kind=8) | :: | RIMPURITY(3,*) | ||||
| real(kind=8) | :: | RKILL(3,*) | ||||
| real(kind=8) | :: | DXIMP(*) | ||||
| real(kind=8) | :: | DYIMP(*) | ||||
| real(kind=8) | :: | DZIMP(*) |