JDFTx  1.7.0
perturb-wavevector

Syntax:

perturb-wavevector <q0> <q1> <q2>

Description:

Set the bloch phase of the perturbation potential to exp(iGq*r) where q = (<q0>, <q1>, <q2>) is a reciprocal lattice vector .If perturbation is not specified, will perform band structure calculation with k+q and k-q vectors.

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands