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7.34 ph.x yields really lousy phonons, with bad or negative frequencies or wrong symmetries or gross ASR violations

Possible reasons Note that "negative" frequencies are actually imaginary: the negative sign flags eigenvalues of the dynamical matrix for which $ \omega^{2}_{}$ < 0 .


next up previous contents
Next: 7.35 'Wrong degeneracy' error Up: 7 Troubleshooting Previous: 7.33 ph.x does not Contents
Paolo Giannozzi 2010-04-08