[CP2K-user] [CP2K:19526] TDDFT calculation occurs an error by using B3LYP-D3(BJ)

[Jürg Hutter]

Hi

2ND_DERIV_ANALYTICAL T     (which is also the default) should do the job.
Any deeper reason why you switched this off?

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Richard Yin <jbyin951227 at gmail.com>
Sent: Thursday, November 16, 2023 3:14 PM
To: cp2k
Subject: [CP2K:19522] TDDFT calculation occurs an error by using B3LYP-D3(BJ)

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

[NYA.png]


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