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ABINIT/defs_parameters [ Modules ]

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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