Christopher Pashartis

Improve local stress tensor

4

Hello, As I am waiting for approval on your google groups. I wanted to ask for more information on your local stress tensor. As it isn't documented (as far as...

PhononWork -> generating too many DFPT calculations

5

Hello, Is anyone familiar with the PhononWork calculations? From what I understand, and from what I could decipher from the code, there seems to be an issue with generating the...

Entries in summary.search are returning wrongly

1

Hello, I've noticed recently that when using summary.search, that some entries in the return data structure are not correct when compared to the website. `mp_result = mpr.materials.summary.search(chemsys='Mg', energy_above_hull=(0., .5), num_sites=(0,...

Import error with pymatgen 2022.5.19

3

Hello, There seems to be an import error on trying ``` from mp_api.client import MPRester ``` ImportError: cannot import name 'PatchedPhaseDiagram' from 'pymatgen.analysis.phase_diagram' ([...]/pymatgen/analysis/phase_diagram.py) I'm using version 0.30.8 and pymatgen...