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Dear Developer and users,
I am trying to plot band structure of a 2D material using QE and pyprocar, but I got error "AttributeError: 'QEParser' object has no attribute 'spd'.
Here I put the py…
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Hi,
I'm trying to plot the band structure (QE) for Si but the plot is not the same as the reference and that is clear when elimit
is bigger.
I have found the same problem in the examples of Pyproca…
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Inputs: ICSD collection code (for crystallographic parameters), QE psudopotentials.
Outputs: Determines if the material is predicted to be a metal, insulator, semiconductor, or something else. Coul…
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Is there any future plan to add the 0-weight kpoints band structure method (https://www.vasp.at/wiki/index.php/Si_bandstructure : Procedure 2) to the VASP parser? Currently, it is not supported.
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In step 3 we show the work chains and outputs based on their actual class and link names. To make the app more user-friendly for non-expert users, it would be good to replace e.g. `PwBandsWorkChain` b…
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In migrating to PDS4, there are some differences in terminology, file naming, and directory structure that need to be documented for the UVIS User’s Guide (which was originally written for PDS3). A br…
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**Describe the bug**
Given a large COG (for details see output of `gdalinfo` below), Openlayers downloads all header IFDs (in my case 7.6 MB) before rendering the COG, causing very long initial page …
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### Describe the bug
Hi there,
Currently, I am working on a WTe2 bilayer systems, which contains about 504 atoms. I try to calculate the band structure with kpoint mesh of 11 along the high symmetri…
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Dear YangZhong,
I am writing to you regarding a memory issue I am encountering while calculating the band structure of a system with 3903 atoms using `band_cal_parallel.py`. With parameters set to …
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Currently, we have for every FE an h.
Alternatively, we can define a clock state t, and have a "control variable" h_n to determine the length of a finite element.
We simply integrate the clock stat…