[attachment "TDDFPT-test.sh" removed by Jürg Hutter/at/UZH]
李文珂
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Jun 28, 2022, 4:59:02 AM6/28/22
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to cp2k
Thank you for your timely reply!
I thin the problem is the CP2K can not deal with truncates PBE_HOLE_T_C_LR in TDDFT calculation. It only worked when I removed the &PBE_HOLE_T_C_LR section.
Frederick Stein
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Jun 29, 2022, 7:30:03 AM6/29/22
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