calcwronskian Subroutine
- David Bauer
-
- numerical-tools, sanity-check, KKRimp
- 103 statements
- Source File
public subroutine calcwronskian(rll, sll, leftrll, leftsll, ncheb, npan_tot, ipan_intervall, rpan_intervall)
Uses
-
- mod_cheb
- mod_mathtools
- mod_datatypes
Calculation of the Wronskian of the wavefunctions for numerical tests in the
calculation of the t-matrix. The wronskian is calculated for both regular and
irregular solutions and saved in the files test_wronskian and test_wronskian2
The Wronskian relations are defined in 4.37 and 4.45 of the PhD thesis by
David Bauer (pp. 48).
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(in) | :: | rll(:,:,:) |
regular right wavefunction |
||
| complex(kind=dp), | intent(in) | :: | sll(:,:,:) |
irregular right wavefunction |
||
| complex(kind=dp), | intent(in) | :: | leftrll(:,:,:) |
regular left wavefunction |
||
| complex(kind=dp), | intent(in) | :: | leftsll(:,:,:) |
irregular left wavefunction |
||
| integer, | intent(in) | :: | ncheb |
number of Chebychev polynomials |
||
| integer, | intent(in) | :: | npan_tot |
number of panels |
||
| integer, | intent(in) | :: | ipan_intervall(0:npan_tot) |
index array for potential and shapefunction boundaries for each panel |
||
| real(kind=dp), | intent(in) | :: | rpan_intervall(0:npan_tot) |
radial values of panel boundaries |