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Author Topic: Calculations with FHI-Aims  (Read 3322 times)

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Offline ams_nanolab

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Calculations with FHI-Aims
« on: February 9, 2015, 11:19 »
Presently what calculations are supported by FHI-Aims, when used with VNL gui?
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Offline ams_nanolab

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Re: Calculations with FHI-Aims
« Reply #1 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.
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Offline Anders Blom

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Re: Calculations with FHI-Aims
« Reply #2 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
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