Hi,

I'd like to contribute a script, nanoAlloy.pl, that's used in my own research work. The script will generate a random ensemble of structure configurations of solid-solution substitutions based on a pure phase structure of a (nano) particle. The substitution can be targeted towards not only an elemental species such as pure metal particles, but towards a specific element in a multi-element structure (e.g. the metal species in a metal hydride structure), as well. Furthermore, coupled substitution (e.g. for charge-balance in the (Li,B) → Mg substitutions) can be accommodated by specifying both the substituting and the charge-balancing elements. The built structure configurations will be collected into a study table that’ll be placed into the same directory where the starting structure is located.