[ase-users] ASAP and EMT calculator

[Amanda Stott]

Dear ASE Users,

Could someone point me in the direction of a few papers which explain the
implementation of the EMT and ASAP calculators? I was wondering how/why the
elements Ni, C, Pt, Ag, H, Al, O, N, Au, Pd, Cu were chosen. If I wish to
use ASE to calculate phonon modes of Ti, for example, would I need to do to
implement Ti into the EMT calculator? I know the given elements are
parameterized in EMT.py but I am sure there is more to it than that. Any
help on this matter would be greatly appreciated.

Best Regards,

-- 
Amanda Stott
Graduate Research and Teaching Assistant
The University of Alabama
Department of Chemistry
Tuscaloosa, AL 35487-0336
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