[CP2K-user] [CP2K:19522] TDDFT calculation occurs an error by using B3LYP-D3(BJ)
Richard Yin
jbyin951227 at gmail.com
Thu Nov 16 14:14:53 UTC 2023
Hi CP2K forum,
Something is wrong when I run cp2k to calculate the TDDFT as shown in the
picture, and the corresponding files have been attached. Please give me
some instructions to solve it.
Best regards and wishes,
Richard Yin
[image: NYA.png]
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