QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jahanzaib on December 4, 2022, 03:26

Title: Convergences error
Post by: Jahanzaib on December 4, 2022, 03:26

Hello
The energy and Hamiltonian differences dE and dH should decrease steadily towards the specified tolerance. If it's not doing the same what could be the possible error in the job. Should Poisson solver needs to be changed or the geometry should be changed?

Title: Re: Convergences error
Post by: AsifShah on December 8, 2022, 06:40

Some times you may need to increase k sampling or mesh grid or change damping ratio under algorithms.