Logan Lang
Logan Lang
Hey, sorry for the late response. I talked with the other developers and we are going to try to update pypi and conda-forge this week. There is an issue with...
Hey, Usually, an error like this is associated with your github ssh keys. If you have them set already, try to delete them and create new ones. Logan Lang
Hey TomokiUchiyama, sorry for the very late response. My schedule has been very crazy in the last 3 weeks. I finally had time to look into this issue. The issue...
Hey Amir, so the error comes from parsing the 'filpdos' variable from the kpdos.in file. Can you show me your kpdos.in file? Logan Lang
In the error report, it is trying to parse the density of state information, even though this is a band structure calculation. This will happen if there is a file...
Hey, I'm trying to clarify: is the left plot your current result, and you're aiming for the right plot instead? Currently, I do not believe there is a way to...
Hello Amir, at the current moment, it is not working for qe. I just did an example of MgB2 in a supercell, the bands are what I expected (This is...
Hello Amir, For the unfolding in QE, we are still trying to diagnose the issue. It has to do with how QE uses different a different basis than in vasp....
Hey, sorry for the issue! Recently, we changed it so the fermi energy has to be given the DensityOfStates class to initialize. I forgot to update the elk code. I...
Hey! sorry for the late reply, I only have a couple of times a week to work on pyprocar. I looked into the issue, without going into details, it had...