Hi everyone,
I met a unexpected error on the “Impossible to match point correlations”. I am unsure what is causing this issue. My model is a surface model. The rndstr.in is:
4.28160 4.68660 28.11740 90.00 90.00 90.00
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.50000000 0.62668000 0.14435000 Ru=.9375,Bi=.0625
0.50000000 0.12668000 0.19246000 Ru=.9375,Bi=.0625
0.50000000 0.62668000 0.24058000 Ru=.9375,Bi=.0625
0.50000000 0.12668000 0.28870000 Ru=.9375,Bi=.0625
0.00000000 0.96001000 0.14435000 Ru=.9375,Bi=.0625
0.00000000 0.46001000 0.19246000 Ru=.9375,Bi=.0625
0.00000000 0.96001000 0.24058000 Ru=.9375,Bi=.0625
0.00000000 0.46001000 0.28870000 Ru=.9375,Bi=.0625
And I ran: corrdump -l=rndstr.in -ro -noe -nop -clus -2=3
And the sqscell.out is
1
3 0 0
0 2 0
0 0 1
In this job, there are 48 atoms, and the amount of every elements is integer (Ru=45, Bi=3).
When I run: mcsqs -rc . It shows Impossible to match point correlations due to incompatible supercell size. The reason is unclear. Can someone help me? Thank you very much.