Feature: remove some outdated annotations and add kspacing

kirk0830 / ABACUS-Pseudopot-Nao-Square

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

https://kirk0830.github.io/ABACUS-Pseudopot-Nao-Square/

GNU Lesser General Public License v3.0

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Feature: remove some outdated annotations and add kspacing #54

Closed kirk0830 closed 6 months ago

kirk0830 commented 6 months ago

Expecting to solve the kspacing-non-converge problem caused discontinuity of EOS by setting kspacing to 0.06 Bohr-1 (ideal to be 0.06 Angstrom-1, or 0.06/1.889 Bohr-1)