[DFTB-Plus-User] DFTB v22.2 and v23.1

Arun Sharma anonymousarun at gmail.com
Fri Oct 6 23:57:56 CEST 2023


Hello,
I am running some simulations using DFTB+22.2 using the attached input
file. However, when I use the same input file with v23.1 it leads to errors
and the program stops.

The error with v23.1 is
================================
Reading input file 'dftb_in.hsd'
Parser version: 13
-----------------------------------------------------------------------------
***  Converting input from parser version  7 to parser version 13 ...
***  Done.

ERROR!
-> RangeSeparated input block present, but SK-file
'../slakos/download/3ob/3ob-3-1/C-C.skf' seems to be (semi-)local.
============================================================

However with v22.2 the simulation completes successfully without this error
message. The input file is shown here <https://pastebin.com/zsYhk2bc>.

I appreciate any advice or feedback on how I could resolve this issue.

Thank you,
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