Hi, everybody
I am trying to build a cation-disordered beta-phase compound Ge63BiTe64.
when I used the command "mcsqs -rc -n=128", I got the following message
terminate called after throwing an instance of ‘std::bad_alloc’
what(): std::bad_alloc
Aborted (core dumped)
my input file is
1 1 1 90 90 90
5.9860000610 0.0000000000 0.0000000000
0.0000000000 5.9860000610 0.0000000000
0.0000000000 0.0000000000 5.9860000610
0.000000000 0.000000000 0.000000000 Ge=0.984375 Bi=0.015625
0.000000000 0.500000000 0.500000000 Ge=0.984375 Bi=0.015625
0.500000000 0.000000000 0.500000000 Ge=0.984375 Bi=0.015625
0.500000000 0.500000000 0.000000000 Ge=0.984375 Bi=0.015625
0.500000000 0.500000000 0.500000000 Te
0.500000000 0.000000000 0.000000000 Te
0.000000000 0.500000000 0.000000000 Te
0.000000000 0.000000000 0.500000000 Te
my sqscell.out is
1
11.972000 0 0
0 11.972000 0
0 0 11.972000
How can I solve this problem?
thank u.