rhoq_saveg Subroutine
- Philipp Ruessmann
-
- input-output, k-points, structural-greensfunction, KKRhost
- 40 statements
- Source File
public subroutine rhoq_saveg(nscoef, rhoq_kmask, kpt, k_end, kp, i, j, mu, imin, iatomimp, lmmaxd, g)
Write out G_ij as well as G_ji
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | nscoef |
number of layers in imp. cluster |
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| real(kind=dp), | intent(in) | :: | rhoq_kmask(5,k_end) |
mask and mapping array of reduced k-point set |
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| integer, | intent(in) | :: | kpt |
kpoint index |
||
| integer, | intent(in) | :: | k_end |
number of kpoints to be stored |
||
| real(kind=dp), | intent(in) | :: | kp(3) |
kpoint |
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| integer, | intent(in) | :: | i |
atom index i |
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| integer, | intent(in) | :: | j |
atom index j |
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| integer, | intent(in) | :: | mu |
scanning position (mu0) |
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| integer, | intent(in) | :: | imin |
minimal layer index |
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| integer, | intent(in) | :: | iatomimp(nscoef) |
layer indices of imp. cluster |
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| integer, | intent(in) | :: | lmmaxd |
lm-size of GF matrices |
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| complex(kind=dp), | intent(in) | :: | g(lmmaxd,lmmaxd) |
structural GF (of pair i,j, and k-point) |