-
**Describe the feature**
Now Denchar allows spin-orbit calculations which means that we can now compare the two!
It would be really nice to actually do this comparison and possibly create a workbo…
-
**Good afternoon,
I recently asked about utilizing denchar for my calculations. Nick mentioned that it could be possible to do denchar calculations using sisl and I would like to test it to calculate…
-
Hi All,
Did anyone tried to build Sieata 4.1.5 using EasyBuild? if yes can you please share the .eb files. @akesandgren @migueldiascosta
Hi Miguel and Aka, It seems easyblock siesta.py needs some…
-
Hi,
Comparing the resulting signal from the same molecule using two different methods, particleAtoms and particleMap, I do not get the same value for q=0 (If I don't scale with a factor). The input…
-
### Reproducing code example:
Unfortunately this is part of a larger project.
And may be tricky to reproduce.
Depending on other definition of callback functions, I get the error message …