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dear developments and users
I used Inelastica, the python tool of siesta/transiesta, to calculate local heating in molecular junction. After running Inelastica, there are some information about hea…
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I am working on the modification of the Hamiltonian matrix, corresponding to a molecular junction using the sisl tool; with the aim to shift the eigenvalues and re-calculate the transmission spectrum …
SanRG updated
5 years ago
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I have a few questions regarding the use of inelastica for phonon and e-ph coupling calculations (I am using siesta-trunk-433 and the newest inelastica version that I cloned from github - let me know …
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Hi,
I'm new in sisl, tbtrans and transiesta. I'm following the tutorials from
https://github.com/zerothi/ts-tbt-sisl-tutorial/
In the tutorial 9, everythings works fine until the end to get th…
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Named atomic groups could be useful for several use-cases:
- Translation of sub-groups of atoms (`geometry['C60'] += [0.1]* 3`)
- TranSiesta intrinsic output for electrode regions
- Others?
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Hi!
I'm facing the following error when building sisl, git version. I'm reporting as an issue because anaconda is a probable culprit here, but since many people uses this environment manager I thou…
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**Describe the feature**
The Bloch expansion has to be done in Cython, it is so immensely slow :)