Hi
Is there to calculate xrd pattern of single or Double layer 2D material using pymatgen or any other software. I am working on Li intercalated Phosphorene. I want to calculate XRD for different Li concentration.
Thanks in Advance
Musa
Hi
Is there to calculate xrd pattern of single or Double layer 2D material using pymatgen or any other software. I am working on Li intercalated Phosphorene. I want to calculate XRD for different Li concentration.
Thanks in Advance
Musa
Please post pymatgen questions on the pymatgen discourse: https://pymatgen.discourse.group/
Look at the XRDCalculator in pymatgen: https://github.com/materialsproject/pymatgen/blob/2a2e26e13063b8ea37ad83b6a22d4b26e2dfba5b/pymatgen/analysis/diffraction/xrd.py#L62