From NWChem
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| 4:41:16 AM PDT - Tue, Aug 23rd 2011 |
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Hi NWChem Users and Developers!
I am trying to perform some test calculations using LiF as a test case. I try to calculate
the static polarizability and electric dipole moment at the MP2/cc-pVTZ and CCSD(T)/cc-pVTZ level
of theory, respectively, by requesting
property
response 1 0.0
dipole
end
For DFT and HF calculations the code (v6.0 by the way) produces the desired output
but for MP2 and CCSD(T) following error occurs
number of frequencies: 1
frequency in a.u.: 0.0000000E+00
Perturbing field: electric
Using Dipole Length Gauge
movecs_read_header: failed to open ./ IERR = 21
------------------------------------------------------------------------
hnd_vec_read: failed to read header 911
Does someone have an idea what the problem might be?
Thanks in advance
Sven
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