Calculation of the density for the new solver
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | nsra | |||
integer, | intent(in) | :: | lmax |
Maximum l component in wave function expansion |
||
complex(kind=dp), | intent(in), | dimension (lmmaxd, lmmaxd) | :: | gmatll |
GMATLL=diagonal elements of the G matrix (system) Note that SLL is not needed for calculation of density, only needed for calculation of Green function |
|
complex(kind=dp), | intent(in) | :: | ek | |||
integer, | intent(in) | :: | lmpot |
(LPOT+1)**2 |
||
complex(kind=dp), | intent(in) | :: | df | |||
integer, | intent(in) | :: | npan_tot | |||
integer, | intent(in) | :: | ncheb |
Number of Chebychev pannels for the new solver |
||
real(kind=dp), | intent(in), | dimension (*) | :: | cleb |
GAUNT coefficients (GAUNT) |
|
integer, | intent(in), | dimension (ncleb, 4) | :: | icleb |
Pointer array |
|
integer, | intent(in) | :: | iend |
Number of nonzero gaunt coefficients |
||
integer, | intent(in) | :: | irmdnew | |||
real(kind=dp), | intent(in), | dimension (ntotd*(ncheb+1), nfund) | :: | thetasnew | ||
integer, | intent(in), | dimension (*) | :: | ifunm | ||
integer, | intent(in) | :: | imt1 | |||
integer, | intent(in), | dimension (*) | :: | lmsp |
0,1 : non/-vanishing lm=(l,m) component of non-spherical potential |
|
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | rll | ||
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | sll | ||
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | ull | ||
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | rllleft | ||
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | sllleft | ||
complex(kind=dp), | intent(in), | dimension (nsra*lmmaxd, lmmaxd, irmdnew) | :: | ullleft | ||
complex(kind=dp), | intent(out), | dimension (irmdnew, 0:lmax, nspin*(1+korbit)) | :: | cden | ||
complex(kind=dp), | intent(out), | dimension (irmdnew, lmmaxd/(1+korbit), nspin*(1+korbit)) | :: | cdenlm | ||
complex(kind=dp), | intent(out), | dimension (irmdnew, nspin*(1+korbit)) | :: | cdenns | ||
complex(kind=dp), | intent(out), | dimension (irmdnew, lmpot, nspin*(1+korbit)) | :: | rho2nsc | ||
integer, | intent(in) | :: | corbital | |||
complex(kind=dp), | intent(out), | dimension (lmmaxd, lmmaxd) | :: | gflle_part | ||
real(kind=dp), | intent(in), | dimension (0:ntotd) | :: | rpan_intervall | ||
integer, | intent(in), | dimension (0:ntotd) | :: | ipan_intervall | ||
integer, | intent(in) | :: | nspin |