#16 Incorrect equipartition checking for ck2cti with -v option
When checking high temperature heat capacity, the ck2cti code with the -v option seems to be thinking that Cp(T->Infinity) for H2O (water) should be 6*R. The equipartition prediction should be 7*R. Perhaps the code is checking based on Cv rather than Cp?
The thermo data:
H2O(19) C 0H 2O 1 G 300.000 5000.000 995.043 1
2.74660802E+00 2.89174911E-03-7.53572032E-07 9.48172610E-11-4.67048062E-15 2
-2.99232974E+04 6.45982222E+00 3.45824881E+00 3.08393466E-03-5.64549580E-06 3
6.45577195E-09-2.37752812E-12-3.02160569E+04 2.27065430E+00 4
Incidentally, the Cp at 5000 K here is too high (7.3*R) but not by the magnitude indicated by the log file:
"Warning... species H2O(19): cp(Tmax) greater than equipartition value
by 2.16526668E+001 percent."