[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
--
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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