atom.eigvec.dat
Introduction
The atom.eigvec.dat file contains the eigenvectors of the atomic Hamiltonian. Only those elements which are larger than the threshold (> 1.0E-6) are outputted.
Format
The atom.eigvec.dat file has two different file formats. They depends on the ictqmc parameter.
- File Format A, should be compatible with the CAMELLIA, BEGONIA, and LAVENDER components
ictqmc = 0, 1.
- File Format B, should be compatible with the MANJUSHAKA and PANSY components
ictqmc = 2, 3, 4, 5.
See ictqmc parameter for more details.
The file formats of the atom.eigvec.dat file are a bit complex. It is unnecessary to understand its full details. If you are a maintainer or developer of the JASMINE component, please read the source codes in iqist/src/tools/jasmine/atomic_dump.f90.
Code
N/A