atom.eigval.dat

Introduction

The atom.eigval.dat file contains the eigenvalues of the atomic Hamiltonian. All of the eigenvalues are outputted.

Format

The atom.eigval.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

Note

ictqmc = 0, 1.

File Format B, should be compatible with the MANJUSHAKA and PANSY components

Note

ictqmc = 2, 3, 4, 5.

See ictqmc parameter for more details.

The file formats of the atom.eigval.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