| 3:05:49 PM PST - Thu, Nov 8th 2018 |
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Yes that is right. CPHF for frequency calculation works and it failed for the raman calculation.
Quote:Edoapra Nov 8th 10:48 amQuote:Zyzhang Nov 7th 5:10 pmThanks Edo. The geometry is a minimal and the calculated frequency has a neg of ca. 10 wave numbers. The active list is commented out but when I copy and pate the comment sign # ended up as numbers on the forum page.
Does this mean that the CPHF failure occurs during task raman, while task frequencies works? |