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Hi,
I wanted to ask you a bit about band plots, so I created this issue.
Main question is this.
**How can I figure out the exact (or near) k-point positions of the bands that cross the Fermi …
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Hello, I am a student from TsingHua University, Taiwan, recently I am using Quantum Espresso to simulate the dielectric constant of materials, I saw that you have shared the simulation results of sili…
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Sir,
When I tried to run ZnO using OpenDFT and quantum espresso qe-6.5, after SCF run is completed it is showing error like this,
Note: The following floating-point exceptions are signalling: IEEE…
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This was an open question we raised already in February in Cineca, but didn't address so far.
In the original idea the `calc_engines` dict was in charge to receive the computational resources require…
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For testing purposes, I'm running `nodefinder` to find Weyl nodes of bcc iron.
The tight-binding model I obtained from Quantum Espresso and Wannier90 has 18 wannier functions.
Currently, the `no…
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A user in the tutorial installed everything and *also* imported the Archive from the Materials Cloud.
Then, he set up a code and run, following the instructions in the tutorial.
However, the "random…
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`ph.x` stop with the exception, but the calculation has the state finished[0]
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aiida-quantumespresso version is 3.2.1
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Following the discussion in #565, if a code does not _modify_ the input files it gets from the parent files, a symlink can be used instead of copying the files.
I did some preliminary testing on `p…
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Enable building and execution of the QuantumEspresso application with the LLVM Flang compiler.
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Last issue/PR of the night, I promise! :)
I've recently needed to compare electronic band structures computed from the same structures/materials but with slightly different methods (e.g., VASP vers…