[DFTB-Plus-User] FW: WriteBandOut not working?
goldman14 at llnl.gov
Mon Feb 6 22:58:33 CET 2017
Can you supply your .gen file as well?
Material Sciences Division, PLS
Lawrence Livermore National Laboratory
P.O. Box 808, L-288
Livermore, CA 94551-0808
Phone: (925) 422-3994
Fax: (925) 422-2382
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of "Amanda.Barnard at data61.csiro.au" <Amanda.Barnard at data61.csiro.au>
Reply-To: User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
Date: Monday, February 6, 2017 at 12:57 PM
To: "dftb-plus-user at mailman.zfn.uni-bremen.de" <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: [DFTB-Plus-User] FW: WriteBandOut not working?
For a reason I cannot determine, the WriteBandOut = Yes option is not working for me. Attached is my input file… can anyone see my mistake? I’m using the MPI version.
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