TABLE OF CONTENTS
ABINIT/defs_parameters [ Modules ]
NAME
defs_parameters
FUNCTION
Default parameters. Typical use : parameters that are used in different routines, of which the value is fixed here (still, they are not as fundamental as the definitions in defs_basis). Also, some input variables, of integer type, might be associated with a name for selected values. One might associated here these these particular values with a variable name. Please, make sure that these parameters are easy to trace, in the different routines they are used. Hence, give them a characteristic, informative, name.
COPYRIGHT
Copyright (C) 2002-2018 ABINIT group (PCasek,FF,XG,YMN) 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 .
PARENTS
CHILDREN
SOURCE
31 #if defined HAVE_CONFIG_H 32 #include "config.h" 33 #endif 34 35 module defs_parameters 36 37 use defs_basis 38 39 implicit none 40 41 !- Set of parameters for the aim utility ----------------------------------- 42 real(dp), parameter :: aim_rhocormin=1.d-10 ! the minimal core density 43 real(dp), parameter :: aim_epstep=0.5 44 real(dp), parameter :: aim_rhomin=1.d-5,aim_dgmin=1.d-9,aim_dmaxcrit=5.d-2 45 real(dp), parameter :: aim_dmin=1.d-3,aim_hmax=2.d7,aim_fac0=2.1_dp,aim_facmin=1.d-3 46 real(dp), parameter :: aim_hmult=15._dp,aim_tiny=1.d-4,aim_snull=1.d-6 47 real(dp), parameter :: aim_deltarmin=1.d-7 48 !the minimal length of one step following the gradient line 49 real(dp), parameter :: aim_fac=1.2_dp,aim_drmin=1.d-5 50 real(dp), parameter :: aim_dlimit=1.d-4,aim_dmaxcs=3.d-1 51 real(dp), parameter :: aim_dpc0=1.d-2 52 integer, parameter :: aim_maxstep=100 53 real(dp), parameter :: aim_xymin=1.d-10 54 integer, parameter :: aim_npmaxin=17 55 real(dp), parameter :: aim_stmax=0.05 56 real(dp), parameter :: aim_dmaxc1=1.d-1, aim_dmaxcl=5.d-2 57 58 !- Particular values of some input variables ----------------------------------- 59 60 end module defs_parameters