Dear all, I am getting the following error in my transiesta calculations (version siesta-4.0b-485):
"ERROR: Unitcell has the electrode extend into the transport direction. Please change the geometry. Electrodes extend into the transport direction. Please change the geometry. Stopping Program from Node: 0" I am using hexagonal unit cells for electrodes. Is this the problem? Should I only use rectangular electrodes? If yes, why? I do not see any fundamental restrictions or I am wrong! My position files are also attached. I have used 7 hexagonal unit-cells along the z direction for my transport calculations. The kpoint sampling is set to 1X1X1 for quick testing of my positions. Any help is welcomed and appreciated. Best regards,
POSITIONS.fdf
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OUTPUTscat.fdf
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POSITIONS-scatpluselec.fdf
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