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[wavecar.rs] make constants consistent with VASP's.
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Ionizing committed Sep 21, 2022
1 parent 5aa9f20 commit dc4f506
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/vasp_parsers/wavecar.rs
Original file line number Diff line number Diff line change
Expand Up @@ -56,11 +56,11 @@ use crate::{


// Constants
const PI: f64 = std::f64::consts::PI;
const PI: f64 = 3.141592653589793238;
const PIx2: f64 = PI * 2.0;
//const H_PLANCK: f64 = 6.6260755E-34;
//const HBAR: f64 = H_PLANCK / PIx2;
const RY_TO_EV: f64 = 13.605693009;
const RY_TO_EV: f64 = 13.605826;
const AU_TO_A: f64 = 0.529177249;
const AU_TO_DEBYE: f64 = 2.541746;
const HBAR2D2ME: f64 = RY_TO_EV * AU_TO_A * AU_TO_A;
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