-
Dear developers,
I am plotting a bandtsructure of BaCuLaSe3. The band gap is 0.98 eV. Using the pymatgen and sumo plotting tools, I am getting the same plot and showing the same value of the band gap…
-
I really love the program. Thank you so much. I am curious if you could add fermi-surface visualization on unfolded band structures? Or is it possible to do that?
-
For developer,
For comparing scf band structure and wannier band structure, I exported pyprocar bandplot data.
band.py
```
pyprocar.bandsplot(code='qe', fermi = 7.7617, fermi_shift = 7.7617, eli…
-
I got this error when loading a TIFF file `VlivCreateTrueColorDIBSection failed with error 87: The parameter is incorrect`
The file seems to have been created by Photoshop. I realise that gdalinfo …
-
I am applying DMFT to bulk Ca2N through QE. There are three atoms/cell with 25 electrons/cell. The Ca2N s-states form the only band within 0.5eV of the Fermi level and this band is half filled.
A t…
-
### What is the bug?
When compressing a NITF using JPEG2000 compression, I expect to get the 'DEFAULT' amount of resolutions and indicated by the driver.
**RESOLUTIONS**=: Number of resolution le…
-
cc @mehmetgiritli & @alex-belozerov
It would be nice to have a mechanism to adjust filters before sending them when using custom fields. As an example, when querying a structures endpoint for cust…
-
### Python version
PYthon 3.12.5
### Pymatgen version
2024.8.9
### Operating system version
CentOS 7.6
### Current behavior
in pymatgen/io/vasp/output.py
`get_band_structure_from_vasp_multi…
-
Dear Pranab Das,
I find your hands-on tutorial very helpful. Thank you for making it available to the public!
I'm more of a VASP user and plots with SUMO code previously, so when I use Quantum Esp…
-
Hi, I am doing a electron transport calculation with Phoebe while it unfortunately crashed somehow.
The following is the screen outputs before it crashed:
>
> Started parsing of el-ph interact…