QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: zhaopeng77 on October 5, 2017, 02:40

Title: If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims
Post by: zhaopeng77 on October 5, 2017, 02:40

Dear Sir,
           I have a question: If  the hybrid-B3LYP is avialable in ATK if one has  the license of FHI-aims?

Title: Re: If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims
Post by: Jess Wellendorff on October 5, 2017, 08:21

You can choose B3LYP with the FHI-aims calculator, but not with any of the ATK calculators.