[DFTB-Plus-User] FW: WriteBandOut not working?

Amanda.Barnard at data61.csiro.au Amanda.Barnard at data61.csiro.au
Tue Feb 7 01:57:46 CET 2017

Sure, … here it is.


From: DFTB-Plus-User [mailto:dftb-plus-user-bounces at mailman.zfn.uni-bremen.de] On Behalf Of Goldman, Nir
Sent: Tuesday, 7 February 2017 8:59 AM
To: User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: Re: [DFTB-Plus-User] FW: WriteBandOut not working?

Hi Amanda,

Can you supply your .gen file as well?



Nir Goldman
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<mailto:dftb-plus-user-bounces at mailman.zfn.uni-bremen.de>> on behalf of "Amanda.Barnard at data61.csiro.au<mailto:Amanda.Barnard at data61.csiro.au>" <Amanda.Barnard at data61.csiro.au<mailto:Amanda.Barnard at data61.csiro.au>>
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Date: Monday, February 6, 2017 at 12:57 PM
To: "dftb-plus-user at mailman.zfn.uni-bremen.de<mailto:dftb-plus-user at mailman.zfn.uni-bremen.de>" <dftb-plus-user at mailman.zfn.uni-bremen.de<mailto:dftb-plus-user at mailman.zfn.uni-bremen.de>>
Subject: [DFTB-Plus-User] FW: WriteBandOut not working?

Hi All,

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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