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Q: Which properties can be directly obtained from Electron Charge Density (obtained from CHGCAR in VASP, etc.) and no other info?

Pranoy RayThe range of properties I have access to are the following: spg_number, formula, formation_energy_peratom, optb88vdw_bandgap, magmom_oszicar, elastic_tensor, effective_masses_300K, kpoint_length_unit, maxdiff_mesh, maxdiff_bz, encut, optb88vdw_total_energy, epsx, epsy, epsz, mepsx, mepsy, mepsz, ...

density-functional-theory physical-properties-of-materials atomistic-simulation charge-density
 

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