mod_rllsll Module
Wrapper module for the calculation of the regular and irregular solutions
Note
preprocessor options:
* test_runs: uncomment the line #define test_run to prepare for test
* test_prep: uncomment the line #define test_prep to write out the solutions to file
Subroutines
public subroutine rllsll(rpanbound, rmesh, vll, rll, sll, tllp, ncheb, npan, lmsize, lmsize2, lbessel, nrmax, nvec, jlk_index, hlk, jlk, hlk2, jlk2, gmatprefactor, cmoderll, cmodesll, cmodetest, use_sratrick1, alphaget)
- License
- Category
- single-site, KKRhost
C a l c u l a t i o n
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t h e
r e g u l a r
a n d
i r r e g u l a r
s o l u t i o n s
f o r
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i m p u r i t y
c o d e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp) | :: | rpanbound(0:npan) | ||||
| real(kind=dp) | :: | rmesh(nrmax) |
Integration matrix from left ( CS_LC^-1 in eq. 5.53) Same from right ( CS_RC^-1 in eq. 5.54) Radial mesh point |
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| complex(kind=dp) | :: | vll(lmsize*nvec,lmsize*nvec,nrmax) |
irr. volterra sol. reg. fredholm sol. t-matrix potential term in 5.7 Bauer, PhD |
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| complex(kind=dp) | :: | rll(lmsize2,lmsize,nrmax) |
irr. volterra sol. reg. fredholm sol. t-matrix potential term in 5.7 Bauer, PhD |
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| complex(kind=dp) | :: | sll(lmsize2,lmsize,nrmax) |
irr. volterra sol. reg. fredholm sol. t-matrix potential term in 5.7 Bauer, PhD |
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| complex(kind=dp) | :: | tllp(lmsize,lmsize) |
irr. volterra sol. reg. fredholm sol. t-matrix potential term in 5.7 Bauer, PhD |
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| integer | :: | ncheb |
number of chebyshev nodes |
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| integer | :: | npan |
number of panels |
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| integer | :: | lmsize |
lm-components * nspin |
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| integer | :: | lmsize2 |
lmsize * nvec |
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| integer | :: | lbessel | ||||
| integer | :: | nrmax |
total number of rad. mesh points |
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| integer | :: | nvec |
spinor integer: nvec=1 non-rel, nvec=2 for sra and dirac |
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| integer | :: | jlk_index(nvec*lmsize) | ||||
| complex(kind=dp) | :: | hlk(lbessel,nrmax) | ||||
| complex(kind=dp) | :: | jlk(lbessel,nrmax) | ||||
| complex(kind=dp) | :: | hlk2(lbessel,nrmax) | ||||
| complex(kind=dp) | :: | jlk2(lbessel,nrmax) | ||||
| complex(kind=dp) | :: | gmatprefactor |
prefactor of green function (non-rel: = kappa = sqrt e, rel: including mass correction) |
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| character(len=1) | :: | cmoderll |
These define the op(V(r)) in the eqs. above (comment in the beginning of this subroutine) cmoderll ="1" : op( )=identity for reg. solution cmoderll ="T" : op( )=transpose in L for reg. solution cmodesll: same for irregular |
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| character(len=1) | :: | cmodesll |
These define the op(V(r)) in the eqs. above (comment in the beginning of this subroutine) cmoderll ="1" : op( )=identity for reg. solution cmoderll ="T" : op( )=transpose in L for reg. solution cmodesll: same for irregular |
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| character(len=1) | :: | cmodetest |
These define the op(V(r)) in the eqs. above (comment in the beginning of this subroutine) cmoderll ="1" : op( )=identity for reg. solution cmoderll ="T" : op( )=transpose in L for reg. solution cmodesll: same for irregular |
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| integer | :: | use_sratrick1 | ||||
| complex(kind=dp) | :: | alphaget(lmsize,lmsize) |
private subroutine inverse(nmat, mat)
- License
- Category
- sanity-check, KKRhost
H e l p e r
r o u t i n e
h e r e
o n l y
f o r
h o s t
s i n c e
m
o
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r
l
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s
l
l
u
t
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l
s
d o e s
n o t
e x s i s t
i n
t h e
h o s t
c o d e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | nmat | ||||
| complex(kind=dp) | :: | mat(nmat,nmat) |