Hi, teacher! About the Frequency calculation result in DFTB+, how can we obtain the information about thermodynamics through statistical analysis? If we obtain the zero vibration energy and TS information, is there any script operation？Thank You.
Hi, teacher! About the Frequency calculation result in DFTB+, how can we obtain the information about thermodynamics through statistical analysis? If we obtain the zero vibration energy and TS information, is there any script operation？Thank You.
