Closed uarif closed 11 months ago
Hello, I got different energy in my case than the paper, what could be the reason? Could it be the reason that may be our a,b, etc, values are different? What you think? Any help would be appreciated.
The potentials should all be around -28 for all structures.
Yes, thank you, I got that
Hello, I got different energy in my case than the paper, what could be the reason? Could it be the reason that may be our a,b, etc, values are different? What you think? Any help would be appreciated.