Dear users I want to calculate vibration frequencies and I did the following steps: 1) opt the system 2) use the opt files for force constants matrix (is OK). 3) use fcbuild command and the following error was printed out:
fcbuild < coroneneFC.fdf redata: System Name = redata: System Label = coroneneFC Number of Atoms = 36 chkdim: ERROR: In fcbuild, dimension maxa = 8. It must be at least 36 could anyone help me? Should I use fcbuild ? is it possible to use coroneneFC.FC file directly for vibrator? your sincerely Nasiri
