Hello,
I would like to know, selection of which of NVT or NPT elsemble can be more appropriate for each steps of elastic modulus calculation and be appreciated if guide me with your ideas.
Regards
SJN
Hello,
I would like to know, selection of which of NVT or NPT elsemble can be more appropriate for each steps of elastic modulus calculation and be appreciated if guide me with your ideas.
Regards
SJN