ZMP

Section used to specify ZMP Potentials. [Edit on GitHub]

Subsections

• RESTART

Keywords

• DM

• FILE_DENSITY

• GRID_TOL

• LAMBDA

Keyword descriptions

DM

Type: logical
Default: F
Usage: DM <LOGICAL>

Description: read external density from density matrix [Edit on GitHub]

FILE_DENSITY

Type: string[ ]
Default: RHO_O.dat
Usage: FILE_DENSITY <FILENAME>

Description: Specifies the filename containing the target density [Edit on GitHub]

GRID_TOL

Type: real
Default: 1.00000000E-012
Usage: GRID_TOL <REAL>

Description: Tolerance in the equivalence of read-grid in ZMP method [Edit on GitHub]

LAMBDA

Type: real
Default: 1.00000000E+001
Usage: LAMBDA <REAL>

Description: Parameter used for the constraint in ZMP method [Edit on GitHub]