[DFTB-Plus-User] ASE with DFTB

[Zhu, Junmian]

Dear Abid Ali,

I have some experience with using ASE with DFTB+ code. Please feel free to ask me relevant questions and I will try to answer.

Thank you,

Junmian Zhu

From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Abid Channa via DFTB-Plus-User <dftb-plus-user at mailman.zfn.uni-bremen.de>
Reply-To: Abid Channa <abid_channa04 at yahoo.com>, User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
Date: Friday, November 2, 2018 at 5:54 AM
To: "dftb-plus-user at mailman.zfn.uni-bremen.de" <dftb-plus-user at mailman.zfn.uni-bremen.de>
Cc: Abid Channa <abid_channa04 at yahoo.com>
Subject: [DFTB-Plus-User] ASE with DFTB

Hi Guys,

I just joined DFTB mailing list today. Is any one here who is working with ASE (Atomic simulation Environment) using DFTB+ code.

I have query about surface calculations using DFTB parameters with ASE package.

Best,


_________________________________
                   ABID ALI

PhD (Marie Curie-ITN) Fellow
Theoretical Chemistry
Dunhagi 3, VR-II1,
Science Institute, 107 Reykjavik
University of Iceland.
Mobile : +3547835935

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