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The range of properties I have access to are the following:

spg_number, 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, modes, magmom_outcar, max_efg, avg_elec_mass, avg_hole_mass, icsd, dfpt_piezo_max_eij, dfpt_piezo_max_dij, dfpt_piezo_max_dielectric, dfpt_piezo_max_dielectric_electronic, dfpt_piezo_max_dielectric_ionic, max_ir_mode, min_ir_mode, n-Seebeck, p-Seebeck, n-powerfact, p-powerfact, ncond, pcond, nkappa, pkappa, ehull, Tc_supercon, dimensionality, efg, typ, crys, density, poisson, bulk_modulus_kv, shear_modulus_gv, mbj_bandgap, hse_gap.

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am not talking about the CHGCAR difference. I have just one converged CHGCAR for every material.

The range of properties I have access to are the following:

1. SPG
2. Formation Energy per Atom
3. Total (Relaxed) Energy per Atom
4. BandGap
5. Elastic Tensor
6. Magnetic Moment (OSZICAR & OUTCAR)
7. Energy above Hull
8. Bulk Modulus
9. Shear Modulus
10. Poisson's Ratio
11. Superconducting transition temperature (Tc)
12. mBJ BandGap

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am not talking about the CHGCAR difference. I have just one converged CHGCAR for every material.

The 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, modes, magmom_outcar, max_efg, avg_elec_mass, avg_hole_mass, icsd, dfpt_piezo_max_eij, dfpt_piezo_max_dij, dfpt_piezo_max_dielectric, dfpt_piezo_max_dielectric_electronic, dfpt_piezo_max_dielectric_ionic, max_ir_mode, min_ir_mode, n-Seebeck, p-Seebeck, n-powerfact, p-powerfact, ncond, pcond, nkappa, pkappa, ehull, Tc_supercon, dimensionality, efg, typ, crys, density, poisson, bulk_modulus_kv, shear_modulus_gv, mbj_bandgap, hse_gap.

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am not talking about the CHGCAR difference. I have just one converged CHGCAR for every material.

The range of properties I have access to are the following:

spg_number, 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, modes, magmom_outcar, max_efg, avg_elec_mass, avg_hole_mass, icsd, dfpt_piezo_max_eij, dfpt_piezo_max_dij, dfpt_piezo_max_dielectric, dfpt_piezo_max_dielectric_electronic, dfpt_piezo_max_dielectric_ionic, max_ir_mode, min_ir_mode, n-Seebeck, p-Seebeck, n-powerfact, p-powerfact, ncond, pcond, nkappa, pkappa, ehull, Tc_supercon, dimensionality, efg, typ, crys, density, poisson, bulk_modulus_kv, shear_modulus_gv, mbj_bandgap, hse_gap.

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am not talking about the CHGCAR difference. I have just one converged CHGCAR for every material.

The 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, modes, magmom_outcar, max_efg, avg_elec_mass, avg_hole_mass, icsd, dfpt_piezo_max_eij, dfpt_piezo_max_dij, dfpt_piezo_max_dielectric, dfpt_piezo_max_dielectric_electronic, dfpt_piezo_max_dielectric_ionic, max_ir_mode, min_ir_mode, n-Seebeck, p-Seebeck, n-powerfact, p-powerfact, ncond, pcond, nkappa, pkappa, ehull, Tc_supercon, dimensionality, efg, typ, crys, density, poisson, bulk_modulus_kv, shear_modulus_gv, mbj_bandgap, hse_gap.

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am talking about the CHGCAR difference. I have just one converged CHGCAR for every material.

The 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, modes, magmom_outcar, max_efg, avg_elec_mass, avg_hole_mass, icsd, dfpt_piezo_max_eij, dfpt_piezo_max_dij, dfpt_piezo_max_dielectric, dfpt_piezo_max_dielectric_electronic, dfpt_piezo_max_dielectric_ionic, max_ir_mode, min_ir_mode, n-Seebeck, p-Seebeck, n-powerfact, p-powerfact, ncond, pcond, nkappa, pkappa, ehull, Tc_supercon, dimensionality, efg, typ, crys, density, poisson, bulk_modulus_kv, shear_modulus_gv, mbj_bandgap, hse_gap.

From the above list, I can ascertain that the Bulk Modulus and ECD are directly related by the Birch-Murnaghan Equation of State, but when we talk about the Total Energy (relaxed) of the system, it is dependent on a bunch of other factors other than the charge density like the Exchange correlation potential, as a result, Total Energy is not a desirable answer as it does not necessarily depend on the ECD only but also on $E_{xc}$. Considering the CHGCAR file as the only piece of information I have, what are the properties that can be directly connected to CHGCAR?

Note: I am not talking about the CHGCAR difference. I have just one converged CHGCAR for every material.