[Pw_forum] negative frequency
Giovanni La Penna
glapenna at iccom.cnr.it
Wed May 19 16:12:52 CEST 2010
In user_guide.pdf (page 75 of qe-4.1.2) I read
that tr2_ph may be too large. Actually, I tested
benzene and the imaginary frequency disappeared
with tr2_ph = 1.d-12 (as suggested in example02).
Giovanni La Penna
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Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
via Madonna del Piano 10,
I-50019 Sesto Fiorentino, Firenze, Italy
tel.: +39 055 522-5264, fax: +39 055 522-5203
e-mail: glapenna at iccom.cnr.it - http://www.iccom.cnr.it/lapenna
skype: giovannilapenna
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