Computes impact ionization doubly differential cross section (DDCS) and cross section integrated over outgoing energy (DCS) Output total and angle-resolved DCS Write a file "DDCS_DATA.dat" containing the DDCS data for post processing The DDCS_DATA.dat file is organised in data blocks separated by a blank line: First block (First line) : N_theta, N_phi Second block (N_theta lines) : List of theta values (rad) Third block (N_phi lines) : List of phi values (rad) Last block (Last line) : N_trans Block 4 to 3+N_trans (1 + N_phi x N_theta lines )contains the DDCS data for all possible transitions. First line contains : indexes of initial and final MO, transition energy (Ha), coresponding outgoing energy (Ha) The next N_phi x N_theta lines contain (loop over phi then theta) : DDCS(theta,phi), DDCS(theta,phi)*dOmega
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(grid3d), | intent(in) | :: | g | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(in) | :: | f |