Hi,
I was calculated ice cluster's vibration using ph.x. but no IR peaks appeared. I don't know the reason. here my input & output Normal modes for Wurtzite &inputph tr2_ph=1.0d-14, prefix='ice_scf', outdir='./out/' epsil=.false., trans=.true., asr=.true. fildyn='dmat.ice' / 0.0 0.0 0.0 Thanks
opt_ice.pdb
Description: Binary data
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