kpoint_mo_symmetry_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	kpoint_mo_symmetry_methods
	Utilities for transforming k-point MO coefficients under symmetry operations.

Functions/Subroutines
logical function, public	kpoint_mo_symmetry_methods::kpoint_same_periodic (xkp_a, xkp_b)
	Compare two fractional k-points modulo reciprocal lattice vectors.
subroutine, public	kpoint_mo_symmetry_methods::kpoint_transform_scf_mo (src_real, src_imag, dst_real, dst_imag, qs_kpoint, ikred, isym, para_env, success, reason)
	Transform one SCF MO coefficient matrix to an equivalent full-mesh k-point.