Dear Dr. Van de Walle and everybody,
When I use the command mcsqs -rc, the following message `terminate called after throwing an instance of ‘std::bad_alloc’ what(): std::bad_alloc’ always display. Here is the detail process.
rndstr.in
1 1 1 90 90 90
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
0.0 0.0 0.0 Ni=.25,Fe=.25,Cr=.25,Co=.25
sqscell.out
1
2 0 0
0 2 0
0 0 2
Run the first command:
corrdump -l=rndstr.in -ro -noe -nop -clus -2=1.1
Run the second command:
mcsqs -n 8
when the bestsqs.out and bestcorr.out, sqscell.out are generated,
ctrl c stop, write the sqscell.out above and replace the generated sqscell.out.
Run the third command:
mcsqs -rc
then, the error display: terminate called after throwing an instance of ‘std::bad_alloc’ what(): std::bad_alloc.
When I use the n=32, the same thing happens. Although there are similar question in the forum, I don’t get the reason for this. Surely, I am a newer for SQS.
when i use mcsqs, it display: -rc Read supercells from file sqscell.out (default: generate internally and write to sqscell.out) (Default: Off). is it OK?
Any help would be greatly appreciated,
Thanks
Wei Fang