[DFTB-Plus-User] Error in opening file 'struct.gen' + transport calculations

toufik essakhri tousak at hotmail.fr
Tue May 13 10:44:09 CEST 2025


Hi all,

I am running transport calculation for a molecular junction
The first step (electrodes calculation) is done without any error; however, the following error appears for the calculation of the device
Error in opening file 'struct.gen'

The struct.gen file was used for both contacts and device calculations.
Have you any idea about the source the error?

Thank you in advance
Toufik
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