# Tag Archives: scale factor

## Converting Total Energy to Enthalpy, 298K, 1 atm

The total energy is obtained from a model in which the nuclei are frozen in place. Therefore, the total energy fails to include the kinetic energy of the nuclei and cannot be compared directly to the standard enthalpy, H,… Continue reading

Posted in Spartan HowTo
Tagged EDF2, enthalpy, frequency, scale factor
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