Calculating vibrational modes of a CO2 molecule

[Anantha Venkatraman]

Hello,

I have been running into trouble when I attempt to calculate the vibrational modes of an optimized CO2 molecule (PBE functional, DZVP basis set) in CP2K version 6.1 using the "VIBRATIONAL_ANALYSIS" keyword (error attached below). 

Why this is happening? I am unsure if this is because of the linearity or symmetry of the molecule, I have tried to change the symmetry but I still receive the same error (attached below) within 2 seconds of the calculation run. 

I have also attached the input and output files in this message. Any help will be appreciated. 

Thanks in advance.

Anantha

Error obtained:

 *******************************************************************************

 *   ___                                                                       *

 *  /   \                                                                      *

 * [ABORT]                                                                     *

 *  \___/                             CPASSERT failed                          *

 *    |                                                                        *

 *  O/|                                                                        *

 * /| |                                                                        *

 * / \                                       motion/vibrational_analysis.F:696 *

 *******************************************************************************

 ===== Routine Calling Stack =====

            2 build_D_matrix

            1 CP2K