=== Birch-Murnaghan eos ========================= Fit accuracy: Log(Final residue in [Ha]): -6.04 Final parameters: E_min = -29.36096 [Ha] V_min = 106.5871 [Bohr^3] B_0 = 121.949 [GPa] B' = 3.553 ================================================= Volume E_dft-E_eos Pressure [GPa] 94.2633 +0.00000009 +18.615 98.7043 -0.00000040 +10.735 103.2857 +0.00000065 +4.057 108.0004 -0.00000046 -1.569 112.8597 +0.00000012 -6.298