! --- ! Copyright (C) 1996-2016 The SIESTA group ! This file is distributed under the terms of the ! GNU General Public License: see COPYING in the top directory ! or http://www.gnu.org/copyleft/gpl.txt . ! See Docs/Contributors.txt for a list of contributors. ! --- SUBROUTINE REINITSTM( MAXO, MAXA, MAXUO, MAXNH, MAXNA, NSPIN) C ********************************************************************** C Read some variables from SIESTA in order to define C the dimensions of some arrays in STM C C Coded by P. Ordejon, November 2004 C Based on reinit by J. Junquera 07/01 C ********************************************************************** USE FDF IMPLICIT NONE INTEGER, INTENT(OUT) :: . MAXO, MAXA, MAXUO, NSPIN, MAXNH, MAXNA C ********************************************************************** C INTEGER MAXO : Maximum number of atomic orbitals in supercell C INTEGER MAXA : Maximum number of atoms in supercell C INTEGER MAXUO : Number of atomic orbitals in unit cell. C INTEGER MAXNH : Maximum number C of basis orbitals interacting, either directly C or through a KB projector, with any orbital C INTEGER MAXNA : Maximum number of neighbour of any atom C INTEGER NSPIN : Number of different spin polarizations C Nspin = 1 => Non polarized. Nspin = 2 => Polarized C ********************************************************************** C Internal variables -------------------------------------------------- CHARACTER*30 . SNAME, FNAME1 INTEGER . UNIT1 EXTERNAL . IO_ASSIGN, IO_CLOSE C Assign the name of the output file ----------------------------------- SNAME = FDF_STRING('SystemLabel','siesta') FNAME1 = TRIM(sname)//'.DIM' CALL IO_ASSIGN(UNIT1) OPEN ( UNIT = UNIT1, FILE = FNAME1, FORM = 'UNFORMATTED', . STATUS = 'UNKNOWN' ) READ(UNIT1)MAXA READ(UNIT1)MAXO READ(UNIT1)MAXUO READ(UNIT1)NSPIN READ(UNIT1)MAXNH READ(UNIT1)MAXNA CALL IO_CLOSE(UNIT1) RETURN END