On Sun, August 2, 2009 10:10, Neel Singh wrote: > I was calculating the optical properties and during > epsilon calculation, I got
> ???? from grid_build : error #???????? 1 > ???? USPP are not implemented Dear Neel, why are you sending the same email over and over? We got it correctly the first time. The error means that the calculation you are trying to do is not implemented for USPP (ultra-soft pseudo-potential). Either use norm-conserving only, or develop it for ultrasoft. cheers -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
