C a l c u l a t i o n
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Type | Intent | Optional | Attributes | Name | ||
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integer, | intent(in) | :: | iatom |
Currently treated atom index |
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integer, | intent(in) | :: | lmax |
Maximum l component in wave function expansion |
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integer, | intent(in) | :: | irmdnew | |||
integer, | intent(in) | :: | nspin | |||
type(type_bfield), | intent(inout) | :: | bfield |
Information about the external and constraint magnetic fields |
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real(kind=dp), | intent(in), | dimension (0:ntotd) | :: | rpan_intervall | ||
integer, | intent(in), | dimension (0:ntotd) | :: | ipan_intervall | ||
integer, | intent(in) | :: | npan_log | |||
integer, | intent(in) | :: | npan_eq | |||
integer, | intent(in) | :: | npan_tot | |||
integer, | intent(in) | :: | ncheb |
Number of Chebychev pannels for the new solver |
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real(kind=dp), | intent(in) | :: | theta | |||
real(kind=dp), | intent(in) | :: | phi | |||
complex(kind=dp), | intent(in), | dimension (irmdnew,lmpotd , 2*nspin) | :: | rho2nsc | ||
real(kind=dp), | dimension (irmdnew,lmpotd ,nspin) | :: | vpot | |||
integer, | intent(in), | dimension (1:(2*lmax+1)**2) | :: | ifunm | ||
integer, | intent(in) | :: | iend | |||
integer, | intent(in), | dimension (ncleb, 4) | :: | icleb |
Pointer array |
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real(kind=dp), | intent(in), | dimension (ncleb) | :: | cleb |
GAUNT coefficients (GAUNT) ! CHECK THE DIMENSION AND HOW IT IS USED!!! |
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real(kind=dp), | intent(in), | dimension (irmdnew, nfund) | :: | thetasnew | ||
real(kind=dp), | intent(out), | dimension (4) | :: | bconstr | ||
logical, | intent(in) | :: | fix_direction | |||
integer, | intent(in) | :: | icell |
diagonal part (not contained in gaunt-coeff)
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | lmax | |||
integer, | intent(in) | :: | imt1 | |||
integer, | intent(in) | :: | irmdnew | |||
integer, | intent(in) | :: | icell | |||
integer, | intent(in) | :: | iend | |||
integer, | intent(in), | dimension (1:(2*lmax+1)**2) | :: | ifunm | ||
integer, | intent(in), | dimension (ncleb, 4) | :: | icleb |
Pointer array |
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real(kind=dp), | intent(in), | dimension (ncleb) | :: | cleb |
GAUNT coefficients (GAUNT) ! CHECK THE DIMENSION AND HOW IT IS USED!!! |
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real(kind=dp), | intent(in), | dimension (irmdnew, nfund) | :: | thetasnew | ||
real(kind=dp), | intent(in), | dimension(1:irmdnew,1:lmpotd,1:3) | :: | mag_den | ||
real(kind=dp), | intent(out), | dimension(1:irmdnew,1:(lmax+1)**2 ,1:3) | :: | mag_den_convol |