Dear Developers,
I"ve been trying to use TDDFT with TSSP, but I'm getting the same error message, which gave origin to this thread:
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Invalid value of nfun ( 5 ) in <gga_r0>!
MODTRACE: no modules on stack
abnormal termination
escf ended abnormally
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Could you help me with this error?
Can the escf program be used with TPSS functional?
I'm using Turbomole version 5-9-1.
Thanks,
Mario