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1. bader4vasp bader4vasp Public

   C++ implementation of Bader analysis charge extraction from VASP output

   C++ 6

2. Adsorption Adsorption Public

   This Python script facilitates the adsorption of complex molecules onto surfaces.

   Python

3. slab_creator slab_creator Public

   Python script facilitates the creation of slab structures with desired orientations.

   Python

4. Optical-properties Optical-properties Public

   Python code for calculating the optical properties based on density functional theory generated from quantum espresso software.

   Python 3

5. Band-Structure-Plot-QE Band-Structure-Plot-QE Public

   Plotting of band structure generated by quantum espresso calculations

   Python 2