hungyiwu / cs205_spring2020

ab initio phonon calculation 2D material

hungyiwu/cs205_spring2020 Issues

Spark script to save all material data
Closed 4 years ago5
Organize a list of all TMDCs
Closed 4 years ago31
Preprocessing the layered materials structure
Closed 5 years ago8
Spark script to save band structure and density of states data
Closed 5 years ago7
Python script to write Phonopy config files
Closed 5 years ago7
Python script to combine monolayer TMDCs into multi-layers
Closed 5 years ago6
Python script to automatically write VASP input files
Closed 5 years ago1
Download POSCAR for monolayer TMDCs from the Materials project website
Closed 5 years ago1
A batch script that runs everything as a pipeline
Closed 5 years ago6