&INFO ammonia molecule. properties and part two of the visualization output. &END &CPMD PROPERTIES RESTART WAVEFUNCTION COORDINATES WANNIER WFNOUT LIST 4 1 2 3 4 WANNIER REFERENCE 12.5 12.5 12.5 &END &PROP DIPOLE MOMENT LOCALIZE PROJECT WAVEFUNCTION POPULATION ANALYSIS MULLIKEN CHARGES &END &DFT FUNCTIONAL BLYP GC-CUTOFF 1.0E-06 &END &SYSTEM SYMMETRY 0 POISSON SOLVER TUCKERMAN CELL 30.0 1.0 1.0 0.0 0.0 0.0 CUTOFF 70.0 &END &ATOMS *N_MT_BLYP.psp KLEINMAN-BYLANDER LMAX=P 1 12.4861 12.5000 13.2081 *H_MT_BLYP.psp LMAX=S 3 14.2893 12.5000 12.5121 11.6058 14.0535 12.4716 11.6058 10.9465 12.4716 &END &BASIS PSEUDO AO 2 0 1 PSEUDO AO 1 0 &END