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avoid overfitting 

there are only 3 data points for C_13, with one close to 0K. Leave this
point out and fit only a 1st order polynomial
This commit is contained in:
Martin Diehl 2022-02-13 14:48:15 +01:00
parent bb6a62c475
commit ba16ea21a0
1 changed files with 3 additions and 4 deletions
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7
examples/config/phase/mechanical/elastic/Hooke_Sn-beta.yaml
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@ -4,7 +4,7 @@ references:
- J.A. Rayne and B.S. Chandrasekhar, - J.A. Rayne and B.S. Chandrasekhar,
Physical Review 120(5):1658-1663, 1960, Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658, https://doi.org/10.1103/PhysRev.120.1658,
fit to Fig. 2 and Tab. IV (C_13) fit to Fig. 2 (T_min=40K, T_max=300K) and Tab. IV (C_13, T_min=77K, T_max=300K)
C_11: 72.89e+9 C_11: 72.89e+9
C_11,T: -4.479e+7 C_11,T: -4.479e+7
@ -14,9 +14,8 @@ C_12: 59.27e+9
C_12,T: 1.110e+7 C_12,T: 1.110e+7
C_12,T^2: 1.300e+4 C_12,T^2: 1.300e+4
C_13: 35.97e+9 C_13: 35.80e+9
C_13,T: -2.638e+7 C_13,T: -2.870e+6
C_13,T^2: -1.123e+5
C_33: 88.77e+10 C_33: 88.77e+10
C_33,T: -5.361e+7 C_33,T: -5.361e+7