A constant energy molecular dynamics simulation is performed by the following
MD.Type NVE # NOMD|Opt|NVE|NVT_VS|NVT_VS2|NVT_NH
Calculated quantities at every MD step are stored in an output
file 'System.Name.ene', where System.Name means 'System.Name'.
Although you can find the details in 'iterout.c' in the directory 'source',
several quantities are summarized for your convenience as follows:
1: MD step
2: MD time
14: kinetic energy of nuclear motion, Ukc (Hartree)
15: DFT total energy, Utot (Hartree)
16: Utot + Ukc (Hartree)
17: Fermi energy (Hartree)
which means that the first and second columns correspond to
MD step and MD time, and so on.