Can ssneb run without VASP licensce?

Python framework for working with atomic configurations, potentials, and algorithms.

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Aniekan
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Joined: Tue Jun 02, 2015 8:25 am

Can ssneb run without VASP licensce?

Post by Aniekan » Wed Jun 03, 2015 11:27 am

I have been experimenting with ssneb in tsase, and have observed that the example fails to complete, with the following error 'RuntimeError: No pseudopotential for Se'. Although I had set the VASP_PP_PATH variable to my local copy of pseudopotentials (i.e. uspp-736), I note that while no error is raised wrt Cu pseudopotential, the vasp-ext.py cannot find the Se pseudopotential. My question therefore is: do I need a VASP license to be able to use the Vasp calculator in ssneb ? Otherwise, can one use the PAW potentials generated for another code, say PWSCF to run ssneb jobs in tsase ?

alvin
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Joined: Tue Jul 11, 2017 4:47 am
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Re: Can ssneb run without VASP licensce?

Post by alvin » Tue Jul 11, 2017 5:06 am

i've got the same question...

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