QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on February 9, 2015, 11:19

Title: Calculations with FHI-Aims
Post by: ams_nanolab on February 9, 2015, 11:19

Presently what calculations are supported by FHI-Aims, when used with VNL gui?

Title: Re: Calculations with FHI-Aims
Post by: ams_nanolab on February 10, 2015, 07:22

Thanks but I want to know what analysis are supported by FHI-Aims at present using the VNL as GUI.

Title: Re: Calculations with FHI-Aims
Post by: Anders Blom on February 10, 2015, 10:59

For the moment you can do

• band structure
• density of states
• electron density
• forces and stress (meaning, you can do a geometry optimization)
• total energy