PRINT

Printing of information during the SCF. [Edit on GitHub]

Subsections

• DAVIDSON
• DETAILED_ENERGY
• DIAG_SUB_SCF
• DIIS_INFO
• FILTER_MATRIX
• ITERATION_INFO
• LANCZOS
• MO_MAGNITUDE
• MO_ORTHONORMALITY
• PROGRAM_RUN_INFO
• RESTART
• RESTART_HISTORY
• TOTAL_DENSITIES

Keywords

• DM_RESTART_WRITE

Keyword descriptions

DM_RESTART_WRITE: logical = F

Lone keyword: T

Usage: DM_RESTART_WRITE

Write the density matrix into a binary file at the end of the SCF. [Edit on GitHub]