v0.9.5
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Fixed temperature for phonon output pht*nc files
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Added tbtprojncSileTBtrans sile for analyzing projected transmissions
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Removed deprecated dhSileTBtrans
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Bug fix for binary grid files with Siesta and also reads using fdf-files
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Changed default self-energy eta values to 1e-4 eV
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Added Zak-phase calculations (thanks to T. Frederiksen)
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Updated lots of State methods
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added Bloch expansion class which can expand any method
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self-energy calculations:
- Much faster
- enabled left/right self-energies in one method
- Much faster
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fixed AtomicOrbital copies
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enabled TSGF reads
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Added noise-power calculations for TBT.nc files
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Fixed TBT.SE.nc files, units and scattering matrix retrieval
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added more VASP files