[DFTB-Plus-User] cut I/O from dftbplus_python?

[Robin Shannon]

Hi,

I have been using the dftbpython interface with ASE to run some calculations and I am finding that my main bottleneck in computational speed is due to I/O. Is there a way to set up the dftb calculator such that output to stdout is suppressed and such that the usual output files are not printed? I have tried not specifying an output logfile but this causes huge amounts to be printed to stdout instead.

As far as I can tell all the information I need is stored by the calculator in memory and I am running many tens of thousands of force calls so it would be really great if there was a way to stop all I/O once the intial input file is read.

Best wishes

Robin
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