pw90common_kmesh_spacing Interface

public interface pw90common_kmesh_spacing

Calls

interface~~pw90common_kmesh_spacing~~CallsGraph interface~pw90common_kmesh_spacing pw90common_kmesh_spacing proc~kmesh_spacing_singleinteger kmesh_spacing_singleinteger interface~pw90common_kmesh_spacing->proc~kmesh_spacing_singleinteger proc~kmesh_spacing_mesh kmesh_spacing_mesh interface~pw90common_kmesh_spacing->proc~kmesh_spacing_mesh

Called by

interface~~pw90common_kmesh_spacing~~CalledByGraph interface~pw90common_kmesh_spacing pw90common_kmesh_spacing proc~berry_get_kubo_k berry_get_kubo_k proc~berry_get_kubo_k->interface~pw90common_kmesh_spacing proc~dos_get_levelspacing dos_get_levelspacing proc~dos_get_levelspacing->interface~pw90common_kmesh_spacing proc~berry_get_sc_klist berry_get_sc_klist proc~berry_get_sc_klist->interface~pw90common_kmesh_spacing proc~dos_main dos_main proc~dos_main->proc~dos_get_levelspacing proc~calctdfanddos calcTDFandDOS proc~calctdfanddos->proc~dos_get_levelspacing proc~berry_main berry_main proc~berry_main->proc~berry_get_kubo_k proc~berry_main->proc~berry_get_sc_klist proc~boltzwann_main boltzwann_main proc~boltzwann_main->proc~calctdfanddos

Contents


Module Procedures

private function kmesh_spacing_singleinteger(num_points)

Set up the value of the interpolation mesh spacing, needed for adaptive smearing [see Eqs. (34-35) YWVS07]. Choose it as the largest of the three Delta_k's for each of the primitive translations b1, b2, and b3

Arguments

Type IntentOptional AttributesName
integer, intent(in) :: num_points

Return Value real(kind=dp)

private function kmesh_spacing_mesh(mesh)

Same as kmesh_spacing_singleinteger, but for a kmesh with three different mesh samplings along the three directions

Arguments

Type IntentOptional AttributesName
integer, intent(in), dimension(3):: mesh

Return Value real(kind=dp)