1!
2! Copyright (C) 1996-2016	The SIESTA group
3!  This file is distributed under the terms of the
4!  GNU General Public License: see COPYING in the top directory
5!  or http://www.gnu.org/copyleft/gpl.txt.
6! See Docs/Contributors.txt for a list of contributors.
7!
8      module atmparams
9
10      implicit none
11!
12!    Hard-wired parameters to be eliminated in the future
13!
14
15C INTEGER  NZETMX   : Maximum number of PAOs or polarization orbitals
16C                     with the same angular  momentum and
17C                     for the same species.
18
19         integer, parameter, public  :: nzetmx =  200
20
21C INTEGER  NKBMX    : Maximum number of Kleinman-Bylander projectors
22C                     for each angular momentum
23
24         integer, parameter, public  :: nkbmx  =   3
25
26C INTEGER  NSMX    : Maximum number of semicore shells for each angular
27C                    momentum present in the atom ( for normal atom nsmx=0)
28
29         integer, parameter, public  :: nsmx  =    2
30         integer, parameter, public  :: nsemx = 1 + nsmx
31
32C INTEGER NTBMAX    : Maximum number of points in the tables defining
33C                     orbitals,projectors and local neutral-atom
34C                     pseudopotential.
35
36         integer, parameter, public  :: ntbmax =  500
37
38C INTEGER LMAXD     : Maximum angular momentum for both orbitals and
39C                      projectors.
40
41         integer, parameter, public  :: lmaxd  =    4
42         integer, parameter, public  :: lmx2   = (lmaxd+1)*(lmaxd+1)
43
44C INTEGER  NRMAX    : Maximum number of points in the functions read
45C                     from file '.vps' or '.psf' (this number is
46C                     determined by the parameter nrmax in the
47C                     program atm, which generates the files with
48C                     the pseudopotential information). The number
49C                     of points in the grid can be redefined if the
50C                     pseudopotential is reparametrized.
51C                     nrmax = 20000 is a typical safe value in this case.
52C
53
54         integer, parameter, public  :: nrmax  = 20000
55
56         integer, parameter, public  :: maxos=2*nzetmx*lmx2*nsemx
57
58         private
59
60      end module atmparams
61