Hello Developers, In the manual, it says that if we do not use 100 kpoints, we need to do a convergence test, but how should we do the kpoint convergence test? It takes a very long time to draw I-V graphs using each of 20 40 60 100 k points with different voltages in the periodic direction. This work will not be completed within the limited time we can use on our corporate servers with over 60 kpoints. Do you think it would be enough to just look at the transmission graphics for 0V or what should we look for for transiesta convergence test ?
Another point is that the same job works on some computers but does not work on some computers due to the Bad DM normalization error. Siesta4.1.5 compiled with intel-2018 is installed on our servers. Should we compile this version with 2019 intel? Or does it work more smoothly with gcc? Thanks in advance Yelda
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