ec_orth_solver.F File Reference

#include "./base/base_uses.f90"

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Modules
module	ec_orth_solver
	AO-based conjugate-gradient response solver routines.

Functions/Subroutines
subroutine, public	ec_orth_solver::ec_response_ao (qs_env, p_env, matrix_hz, matrix_pz, matrix_wz, iounit, should_stop)
	AO-based conjugate gradient linear response solver. In goes the right hand side B of the equation AZ=B, and the linear transformation of the Hessian matrix A on trial matrices is iteratively solved. Result are the response density matrix_pz, and the energy-weighted response density matrix_wz. More...