QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Abe on February 8, 2011, 07:58

Title: pseudopotential problem
Post by: Abe on February 8, 2011, 07:58

sir,
     while executing the program i got the pseudopotential error.i try to reproduce one paper result they are using Ultrasoft pseudopotential.The pseudo was generated with Non-Relativistic Calculation.But in the case of ATK Norm-conserving pseudopotential was used.That pseudopotential was generated using Scalar-Relativistic Calculation.Could you tell me the difference between these two method .