Dear ATATers,
To use corrdump to generate a clusters.out file (to be used as input to mcsqs).
1- I wonder what to set -2=… and -3=…
corrdump -l=randstr.in -ro -noe -nop -2=10 -3=10 -clus
I have set them randomly to 10.
I wonder what is the best setting? Apparently I cannot just ignore them.
2- What is the typical duration time for corrdump to run. After almost 30 minutes it was killed and only a sym.out file was generated.
3- Is there any way to solve the below problem other than increase the number of atoms (say to 64) in the supercell?
mcsqs -n=32 -l=randstr.in -cf=clusters.out
Impossible to match point correlations due to incompatible supercell size.
Thanks