Well, no much information about this on the internet. We have run into this when doing polarizability calculations on a supercell cut from a molecular semiconductor crystal.
Only information I have found is available here: http://www.
Only information I have found is available here: http://www.
Disabling
fast multipole method (by NoFMM keyword which is denoted as
"obsolete" keyword in G09 Reference) helped us to resolve the issue. We, however, wrote to
Gaussian Tech support and received further advice. The key point is that the problem arises if the system considered has some symmetry and it is used in the calculation; then FMM for electric field CPHF can fail. Fast multipole method is used only for large enough systems, and not only for CPHF; so, Gaussian' s Dr. Clemente advised me to disable it only for CPHF calculation by using IOp(10/63=1) keyword in the route section of Gaussian input file.
Gaussian technical support can be contacted through help@gaussian.com, usually they are very helpful.
Gaussian technical support can be contacted through help@gaussian.com, usually they are very helpful.
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