TABLE OF CONTENTS
ABINIT/m_supercell_maker [ Modules ]
NAME
m_supercell_maker
FUNCTION
This module define the supercell_maker file, which provide functions to help build potentials in supercell. Note: This module works at lower level than m_supercell. The purpose is not to get an supercell of crystal structure, but it provide the functions to help building such thing (but not limited to). TODO: update m_supercell based on this so that it can use non-diagonal supercell matrix. Then this need to be moved to level same as m_supercell. Datatypes: supercell_maker_t Subroutines:
COPYRIGHT
Copyright (C) 2001-2024 ABINIT group (hexu) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt . For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
SOURCE
30 #if defined HAVE_CONFIG_H 31 #include "config.h" 32 #endif 33 #include "abi_common.h" 34 35 module m_supercell_maker 36 use defs_basis 37 use m_abicore 38 use m_errors 39 use m_xmpi 40 use m_symtk, only : matr3inv 41 use m_mathfuncs , only: mat33det, binsearch_left_integerlist, rotate_by_angle_around_axis 42 use m_mpi_scheduler, only: init_mpi_info 43 use m_supercell 44 implicit none 45 private