PSCF v1.1

A Pscf::Pspc::Domain<D> object represents a spatial domain and discretization. The parameter file format for a Domain is:

Domain{
unitCell UnitCell<D>
mesh Mesh<D>
groupName string
}

Parameters and subblocks are described below:

unitCell Description of a crystallographic unit cell, given using the text representation for a Pscf::UnitCell<D> object. The format contains a string that identifies the lattice system (e.g., cubic, orthorhombic, hexagonal, etc.) followed by a list of values for unit cell dimensions and, when needed, angles, all on one line. A discussion of crystal system names and unit cell parameters is given here.
mesh A regular discretization mesh, given using the text representation for a Mesh<D> object. The required data is simply list of D integers separated by spaces on a single line, in which component i of the list is the number of grid points along direction i.
groupName String identifier for a crystallographic space group. A list of valid space group identifiers is given here.