Hi Edoapra,
thank you for your answer. I tried the input and the integrals are written (so I can see files). However, the CCSD iterations look strange:
t2 file size = 7618
t2 file name = ./h2_tce.t2
t2 file handle = -996
CCSD iterations
---------------------------------------------------------
Iter Residuum Correlation Cpu Wall
---------------------------------------------------------
NEW TASK SCHEDULING
CCSD_T1_NTS --- OK
CCSD_T2_NTS --- OK
1 0.0000000000484 -0.0000000000404 3.4 3.4
-----------------------------------------------------------------
Iterations converged
CCSD correlation energy / hartree = -0.000000000040354
CCSD total energy / hartree = -0.926129209689597
However, on my workstation, it runs correctly. Do you have an idea, what might be the problem?
Thanks again,
Christopher
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