[Pw_forum] phonon at Gamma point
ezadshojaee at hotmail.com
Sat Aug 19 10:09:51 CEST 2006
i am trying to calculate phonon frequencies at gamma point of TiO2(anatase)
and i have relaxed the structure enough (i think )but performing PH.X after
scf, 2of 18 frequencies are minus!
i want to know that what technical problem do i have? does anyone calculate
any suggestion will be appreciated
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