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Vasp implement list_potentials() #660

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jan-janssen opened this issue May 9, 2020 · 1 comment · Fixed by #908
Closed

Vasp implement list_potentials() #660

jan-janssen opened this issue May 9, 2020 · 1 comment · Fixed by #908
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enhancement Category: New feature or request priority: low Easy fix for beginners

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@jan-janssen
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Currently VASP only allows to select the pseudo potential via setting the species:

structure = pr.create_ase_bulk('Al')
al_gw = project.create_element(
    new_element_name='Al_GW',
    parent_element='Al',
    potential_file='Al_GW'
)
structure[:] = al_gw

While this is a very flexible way to set the pseudo potential, it would be nice if VASP would also support a similar syntax like Lammps.

@jan-janssen jan-janssen added the priority: low Easy fix for beginners label May 9, 2020
@jan-janssen jan-janssen reopened this Aug 26, 2020
@jan-janssen
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This issue came up today again.

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Labels
enhancement Category: New feature or request priority: low Easy fix for beginners
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