PSCF v1.1
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A Pscf::Pspc::Domain<D> object represents a spatial domain and discretization. The parameter file format for a Domain is:
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. |