Home Documentation Using R.I.N.G.S. The R.I.N.G.S. code 'input' file - Example 3

The R.I.N.G.S. code 'input' file - Example 3

E-mail Print
Article Index
The R.I.N.G.S. code 'input' file
Example 1
Example 2
Example 3
Example 4
All Pages

 

Example 3:  3 chemical species + SIESTA single 'multiple xyz' file

 

#######################################
#       R.I.N.G.S. input file         #
#######################################
(Ag2Se)x(GeSe2)1-x                    #
258                                   #
3                                     #
Se  Ag  Ge                            #
1000                                  #
0                                     #
19.209999 19.20999 19.20999           #
90.000000 90.00000 90.00000           #
2.5                                   #
ANI                                   #
ges2.xyz                              #
200                                   #
500                                   #
25                                    #
0.125                                 #
90                                    #
20 #
10                                    #
15                                    #
#######################################
Ge Ge   4.50                          #
Se Ge   2.60                          #
Ge Ag   4.30                          #
Ag Ag   3.60                          #
Se Ag   2.30                          #
Se Se   3.30                          #
Grtot   2.70                          #
#######################################

 



Last Updated on Wednesday, 25 May 2016 07:51  

 Latest version

RINGS Last version logo
A new version of the RINGS code has been released !

 Mailing List

Mailing list
Join the RINGS code mailing list !

 Hosted by

Get rings-code at SourceForge.net. Fast, secure and Free Open Source software downloads