Energy in Bond currents using SISL

pritampanda15 / Siesta

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

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Energy in Bond currents using SISL #2

Closed harshiiiiiii closed 2 years ago

harshiiiiiii commented 2 years ago

Whenever I try to extract bond currents from .nc file, A energy is required to fill in "bond_current(elec, E, kavg=True, isc=None, only='out', orbitals=None, uc=False)" I don't understand what this Energy means? Please help me resolve it. Additional information about the system - The system has a 0.65 eV band gap. When plotting transmission, the first peak on the right side of transmission lies at E = 0.075 eV and the second peak at E = 0.405 eV. Thanks in advance

pritampanda15 commented 2 years ago

This issue is related to SISL. Please ask in the SISL forum. https://github.com/zerothi/sisl/issues