GWR

This page gives hints on how to perform GWR calculations

NOTE: GWR code is under active development and not yet ready for production runs.

Introduction

Related Input Variables

basic:

• gwr_chi_algo GWR CHI ALGOrithm.
• gwr_ntau GWR Number of TAU points.
• gwr_rpa_ncut GWR RPA Number of CUToff
• gwr_sigma_algo GWR SIGMA ALGOrithm.
• gwr_task GWR TASK

useful:

• gwr_boxcutmin GWR BOX CUT-off MINimum
• gwr_max_hwtene GWR MAX Head Wings Transition ENErgy

expert:

• gwr_np_kgts GWR Number of Processors for K-vectors, G-vectors, Tau-points, Spin.
• gwr_regterm GWR REGularization TERM
• gwr_ucsc_batch GWR Unit Cell, Supercell BATCH SIZE.

Selected Input Files

No input file associated to this topic.

Tutorials

None