There is no pseudopotential for carbon in the LDA set

[xavierandrade]

Since carbon is kind of an important element (ask an organic chemist), it is somewhat confusing that is missing from the LDA set.

Is there a fundamental problem? As a workaround, is it possible to use the v0.3 file, or does it have some issues?

Thanks!

[setten]

Dear Xavier, We still have some issues with the tests on the LDA potentials for elements that crystalize pferomagnetically. carbon is there however both on git: https://github.com/abinit/pseudo_dojo/tree/master/pseudo_dojo/pseudos/ONCVPSP-PW-PDv0.4/C and on the pseudo-dojo.org <http://pseudo-dojo.org/> website please let me know if this solves you problem, Best regards, Michiel van Setten

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On 25 Apr 2018, at 02:27, Xavier Andrade ***@***.***> wrote: Since carbon is kind of an important element (ask an organic chemist), it is somewhat confusing that is missing from the LDA set. Is there a fundamental problem? As a workaround, is it possible to use the v0.3 file, or does it have some issues? — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#94>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AF0i-MPc_VzZ1e_UsEjcvKF5uF3agjT1ks5tr8LmgaJpZM4TinJ4>.

[xavierandrade]

It does. Thanks and keep up the good work.