Aldo Romero

Results 20 comments of Aldo Romero

Could you also please provide more details on the calculation?... without that, it is very hard to debug the code… if you share a simple input file where we can...

I do not think we have but this is easy to be calculated… you have the reciprocal vectors in the OUTCAR … ______________________::::__________________________________________ Prof. Aldo Humberto Romero Eberly Family Distinguished...

Yes Steven, we will have a major release very soon, we are finishing the documentation… we have improved the package quite a lot and it has now more properties and...

You have to be more specific… the info you sent is not enough to see where the problem comes from. ______________________::::__________________________________________ Prof. Aldo Humberto Romero Fellow American Physical Society Assistant...

Can you be a bit more specific? Which Python version, numpy, etc?... this is useful as we want to replicate your problem and see if the problem comes from our...

You need to provide enough information, this is not enough to check what the problem is. Please describe line by line what you are doing and what you are trying...

Will, Thanks for helping out with this issue… let me clarify a bit what is going to happen in the next few days… we will fix the problem in the...

To plot spin texture you need a grid, no a path!... you can plot the projection into the path and do some analysis from it but doing the texture will...

The used grid interval is the one you used in your KPOINTS… if you still have problems after, please provide more details because it is hard to see where the...

Did you use the right flag in VASP to store the phase in the PROCAR file? It seems that PyProcar does not have access to the phase… did you check...