QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sonal AGRAWAL on October 22, 2019, 14:41

Title: errore in device optimization by extended huckle
Post by: sonal AGRAWAL on October 22, 2019, 14:41

Dear sir, I am facing issue in device optimization by extended huckle. there was an erroe msg that no pair potential are given. and also shows error in python file in optimization by LBFGS optimizer. is LBFGS optimizer is not supported by extended huckle or there is any error in my softwares potential files.

Title: Re: errore in device optimization by extended huckle
Post by: Petr Khomyakov on October 25, 2019, 12:02

You cannot do geometry optimization with the Huckel method.