vib

To perform vibrational analysis, first you must obtain the specsym code from the repository, compile it by typing 'make', then take the following files from the converged ground state calculation (this means CONVEGRE TRUE in the GEOCNVRG file) and put them in a separate directory with the specsym binary:

• GRPMAT
• VIBINP
• ISYMGEN
• SYMBOL
• INPUT

once there, run the specsym code, which will produce the following new files: