read_kmats – ROTEX

public module subroutine read_kmats(kmat_dir, channels_dir, point_group, spinmult, kmat_lmax, Kmat, elec_channels, channel_E_units, kmat_eval_E_units, kmat_output_type, kmat_e_closest)

Reads in a K-matrix from a file with a very particular file format given by kmat_output_type

Type	Intent	Attributes		Name
character(len=*),	intent(in)		::	kmat_dir	Directory in which the files containing the K-matrices
character(len=*),	intent(in)		::	channels_dir	Directory in which the channel data are located
character(len=*),	intent(in)		::	point_group	The point group of the calculations
integer,	intent(in)		::	spinmult	The spin multiplicity (2S+1) of the system (target + e⁻)
integer,	intent(in)		::	kmat_lmax	The max value of l in the electronic partial wave basis
real(kind=dp),	intent(out),	allocatable	::	Kmat(:,:)	K(i, j)
type(elec_channel_type),	intent(out),	allocatable	::	elec_channels(:)	The channel basis of the K-matrix: $n,l,λ$ (the code calls λ $m_l$ )
character(len=1),	intent(in)		::	channel_E_units	The units of the channel energies in the Kmat file. Options are : - "r" for Rydberg, "h" for hartree, "e" for eV
character(len=1),	intent(in)		::	kmat_eval_E_units	The units of the energy at which the K-matrix was evaluated in the Kmat file. Options are : - "h" for hartree - "e" for eV - "r" for Rydberg
character(len=*),	intent(in)		::	kmat_output_type	The kind of K-matrix output to read
real(kind=dp),	intent(in)		::	kmat_e_closest	Evaluate the K-matrix that is closest to this energy