QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: zdhlover on December 2, 2013, 12:00

Title: How can we improve the convergence of ATK 11.8?
Post by: zdhlover on December 2, 2013, 12:00

I have been optmized the same geometry with the same parameters, and the ATK 13.8 convergence faster than ATK 11.8,
how can we improve the convergence of ATK 11.8?

Title: Re: How can we improve the convergence of ATK 11.8?
Post by: Anders Blom on December 2, 2013, 13:09

Update to 13.8 ;)

Title: Re: How can we improve the convergence of ATK 11.8?
Post by: zdhlover on December 2, 2013, 16:43

Quote from: Anders Blom on December  2, 2013, 13:09

Update to 13.8 ;)

:D Thanks your advice,but the money .... :(

Do you have some other practical advice?

Title: Re: How can we improve the convergence of ATK 11.8?
Post by: Anders Blom on December 2, 2013, 16:48

Not really. We work really hard to improve the program, and that results in new versions, which are faster, have more features, and so on. 14.2 will be even faster than 13.8!