Raman - no failure report without damping

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Dear NWChem Community,


RAMAN analysis with V6.6 (rev 27746) deliver already well known failure reports. This behavior can be reproduced with the test cases (h2o_raman_*) too:

dft_CPHF2_read: failed to open./h2o_raman_1.aoresp_fiao_f1
File ./h2o_raman_1.aoresp_fiao_f1 does not exist, proceed to generate (z1,Az1)
    1      3    6.85D+01      17.4
------------------------------------------------------------------------
gasvd: failed 7813590751845023744
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
44: task dft raman

Recommended memory adjustments do not help. Without damping the process delivers no failure report.

Regards
Manfred


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