VASPKIT-502 用官方example计算TS结果发散-Infinity
vaspkit-502计算自己的结果总是结果发散-Infinity，得不到-TS项结果随后我在官方examples里面使用502同样得到-Infinity
502在examples/thermo_correction/H2/After_Correction 和 examples/thermo_correction/ethanol均报-Infinity
下面贴出examples/thermo_correction/H2/After_Correction信息
请问可能是什么原因呢？
502
+-------------------------- Warm Tips --------------------------+
See An Example in vaspkit/examples/thermo_correction/ethanol.
This Feature Was Contributed by Nan XU, Jincheng Liu and Sobereva.
Included Vibrations, Translation, Rotation & Electron contributions.
GAS molecules should not be with any fix.
-->> (01) Reading Structural Parameters from CONTCAR File...
-->> (02) Analyzing Molecular Symmetry Information...
Molecular Symmetry is: D(inf)h
Linear molecule found!
+---------------------------------------------------------------+
Please input Temperature (K)!
298
Please input Pressure (Atm)!
1
Please input Spin multiplicity!--(Number of Unpaired electron + 1)
0
------------>>
-->> (03) Extracting frequencies from OUTCAR...
-->> (04) Reading OUTCAR File...
-->> (05) Calculating Thermal Corrections...
U(T) = ZPE + Delta_U(0->T)
H(T) = U(T) + PV = ZPE + Delta_U(0->T) + PV
G(T) = H(T) - TS = ZPE + Delta_U(0->T) + PV - TS
Temperature (T) : 298.0 K
Pressure (P) :101325.000 Pa
Spin-Multiplicity (S) : 0
Zero-point energy E_ZPE : 5.877 kcal/mol 0.254862 eV
Thermal correction to U(T): 7.358 kcal/mol 0.319060 eV
Thermal correction to H(T): 7.950 kcal/mol 0.344739 eV
Thermal correction to G(T): Infinity kcal/mol Infinity eV
Entropy S : -Infinity J/(mol*K)-Infinity eV/K
Entropy contribution T*S: -Infinity J/(mol) -Infinity eV
1 f=123.253937 THz 774.427325 2PiTHz 4111.308668 cm-1 509.737492 meV
2 f= 17.276573 THz 108.551911 2PiTHz576.284432 cm-1 71.450189 meV
3 f= 17.198839 THz 108.063495 2PiTHz573.691510 cm-1 71.128708 meV
4 f/i= 0.016367 THz 0.102837 2PiTHz 0.545943 cm-1 0.067688 meV
5 f/i= 0.027642 THz 0.173680 2PiTHz 0.922038 cm-1 0.114318 meV
6 f/i= 0.089509 THz 0.562401 2PiTHz 2.985697 cm-1 0.370179 meV
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