Home Documentation Using R.I.N.G.S. The R.I.N.G.S. code 'input' file - Example 4

The R.I.N.G.S. code 'input' file - Example 4

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Example 4:  4 chemical species + VASP single 'xdatcar' file

 

#######################################
#       R.I.N.G.S. input file         #
#######################################
0.5Li2S+0.5[(1-x)GeS2+xGeO2]          #
23022                                 #
4                                     #
Ge  Li  S  O                          #
1000                                  #
1                                     #
75.250000 0 0                         #
0 75.250000 0                         #
0 0 75.250000                         #
2.5                                   #
VAS                                   #
geliso.vas                            #
Ge  3837                              #
Li  7674                              #
S   3837                              #
O   7674                              #
200                                   #
500                                   #
25                                    #
0.125                                 #
90                                    #
20 #
10                                    #
15                                    #
#######################################
Ge Ge   3.70                          #
O  Ge   1.80                          #
Ge S    2.30                          #
S  S    3.30                          #
Li Ge   3.30                          #
Li S    3.60                          #
Li Li   3.30                          #
S  O    3.60                          #
O  O    3.90                          #
Li O    3.45                          #
Grtot   2.70                          #
#######################################


Last Updated on Wednesday, 25 May 2016 07:51  

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