FORTRAN 90 code for Hatree-Fock method. Only s-type integration is included. That is only s-type basis sets can be used.
The binary scf.out can be built by the command
$ make
Instructions for the input file ctrfile.dat
natom = 2 ! number of atoms
charge = 0
mult = 1 ! spin multiplicity
kmax = 10000 ! max iteration for SCF
eps1 = 1d-20 ! convergence criterion for density
eps2 = 1d-16 ! convergence criterion for energy
fdiis = .TRUE. ! flag for DIIS
Instructions for the configuration file config.dat
! Put atoms in sequence, natom atoms in all
! For each atom, following information is necessary
1 ! atomic number
0.0 0.0 0.0 ! coordinate in angstrom
Framework written by Xinzijian Liu. Gaussian integration written by Ning Zhang. DIIS written by Yuhang Yao.