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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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siesta fdf relaxation densityofstates band-structure psml denchar wavefunction

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mikhailfrolov-cyber fmcyj911222 shiqiaol aloklk mohammed-alkaabi bookkiy fwahaab dipangkarnehu icamps yukkyi bzwang0320 clementyx priyanka11j gekavic woong98 cclli chrinide mingzefei orbital188 bishwajitkar weiliweili

siesta's Issues

Energy in Bond currents using SISL

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

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