R_LDOS

Section can be repeated.

Controls the printing of local PDOS, projected on 3D volume in real space, the volume is defined in terms of position with respect to atoms in the lists [Edit on GitHub]

Keywords

ERANGE
LIST
XRANGE
YRANGE
ZRANGE

Keyword descriptions

ERANGE: real[2] = [hartree]

Usage: ERANGE -1.0 1.0

only project states with the eigenvalues in the given interval. Default is all states. [Edit on GitHub]

LIST: integer

Keyword can be repeated.

Usage: LIST {integer} {integer} .. {integer}

Specifies a list of indexes of atoms used to define the real space volume [Edit on GitHub]

XRANGE: real[2] = [angstrom]

Usage: XRANGE -10.0 10.0

range of positions in Cartesian direction x: all grid points within this range from at least one atom of the list are considered [Edit on GitHub]

YRANGE: real[2] = [angstrom]

Usage: YRANGE -10.0 10.0

range of positions in Cartesian direction y: all grid points within this range from at least one atom of the list are considered [Edit on GitHub]

ZRANGE: real[2] = [angstrom]

Usage: ZRANGE -10.0 10.0

range of positions in Cartesian direction z: all grid points within this range from at least one atom of the list are considered [Edit on GitHub]