&CPMD
LINEAR RESPONSE
RESTART COORDINATES WAVEFUNCTION
CONVERGENCE ORBITALS
1.0D-7
&END
&RESP
PHONON
&END
******************************************************************
Raw second derivative matrix: No trans/rot elimination
Harmonic frequencies in cm^-1:
-214.6 -100.8 -61.5 -36.8
35.5 216.4 1581.4 3713.1
3821.8
Translations eliminated from second derivative matrix
Harmonic frequencies in cm^-1:
-93.9 -39.0 0.0 0.0
0.0 35.5 1581.4 3713.1
3821.8
Projection (by PURGED routine):
Harmonic frequencies in cm^-1:
0.0 0.0 0.0 0.0
0.0 0.0 1621.8 3722.2
3815.3