Dear Sir or Madam:

Recently when I conduct single point energy calculation in Discover, there's an error reminder, it's like "Error Energy expression: -2.63072e+006Arguments ' elements' is -375839714; must be positive.while executing " energy print +energies+hessian" . After checking "help", there's no introduction regarding this in the file" If a single point energy calculation fails".

Is there anyone who can give a hand?

Thank you in advance!

Best regards,

Weifu