[DFTB-Plus-User] DFTB+ MPI - band.out and pdos.out files not generated

Anshu Gaur agaur at iitk.ac.in
Mon Sep 25 09:47:27 CEST 2017

Dear Sir/Madam,

I have installed MPI version of dftb+ as well as DFTB+ 17.1. While 
running DFTB17.1 with the same input, it generates band.out and pdos.out 
as outupt files. But, when I run MPI version of the dftb+ code, the run 
finishes without any errors, but it does not generate band.out and 
pdos.out files. Is there another way to extract these from the output 
files generated by MPI version of dftb+ code? It will really help speed 
up my calculations.

Thanks in advance.


Anshu Gaur
Assistant Professor
Department of Materials Science and Engineering
National Centre for Flexible Electronics (NCFlexE)
Samtel Centre for Display Technologies (SCDT)
Indian Institute of Technology Kanpur
Phone: +91 512 259/769 7600

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