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Please comment here with the day you wish to present, the name of the software (linked to the website), and a sentence or two about what it does. Please make your repository public [1] and link *your*…
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While doing some testing of my setup I found an unusual effect in my images which seems to be non-physical. Initially I thought it might have something to do with the image simulation, but it turns o…
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Applying in sequence two spin_sop operations gives a different result w.r.t. applying the spin_sop operation extracted from sop_tab, e.g. the table which constructs the map of composed symmetry operat…
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Dear developers,
In some works, the temperature dependence of the SHC based on the Fermi-Dirac function has been presented. Could you tell us if we can do it by Wannierberri?
Thank you for the u…
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Dear developers,
I'm trying to run the example: cdw_1d
I can not run the python code cdw_1d .py because the wigner.fmt file is missing in my directory. Is that a file that epw is supposed to gi…
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Hello,
Thank you very much for the development of the package, it is very useful. We are trying to use it to simulate the response of phonon polaritons (for instance for h-BN), but it gives strange …
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In the newly implemented LLB class that solves the Landau Lifshitz Bloch equation it would be very useful to have a method that determines the equilibrium magnetization direction for a given externa…
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OPTIMADE specification v1.0.1 defines a structure as a set of sites, occupied by mixtures of atoms, with each atom described by its chemical type, mass and occupancy (proportion in the mixture). Means…
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I use the conda to install the tdep code, which is obtained by git clone https://github.com/tdep-developers/tdep.git. However, i meet these following errors
Building dump_dynamical_matrices
/home…
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### Background
At present, abacus have the choive of "cal_cond" to calculate the electronic conductivity of disordered materials (warm dense metal, for example), which is based on Kubo-Greenwood form…