Aakash Ashok Naik

Results 28 comments of Aakash Ashok Naik

Hi @tpurcell90, We have now added a draft for common flow as `BaseGruneisenMaker`. It would be great if you could have a look at it and provide us feedback on...

Hi @JaGeo , It would be better to now replace the method used for generating Gruneisen bandstrucuture plot in the schema to use the one we implemented in pymatgen, before...

> Hi @JaGeo , It would be better to now replace the method used for generating Gruneisen bandstrucuture plot in the schema to use the one we implemented in pymatgen,...

Umm, I did not see this. But I can check it 😃

Is it related specifically to the Bandoverlaps data key or any specific field? And any specific compound?

Thanks will look into it. 😄

Hi @JaGeo ,Checked it with jobflow remote and it seems to originate from `band_overlaps `field. I will test with the recent version of our Schema (open PR), I think that...

Yeah , I just finished checking the same. Seems I need to update keys of bandoverlaps object in pymatgen to make it work with pydantic checks...