CCSD 2emet 9 returns error

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  • Karol Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Vladimir,
2emet 9 is disk based procedure using shared files.
I recommend using GA based procedures:
2eorb
2emet 13
(or mentioned by Edo 2emet 15, which is very fast but more memory thirsty).
You may also use "2emet 14" option followed by "split" keyword - works the same as "2emet 13"
but builds atomic 2-electron integrals in batches (which saves a lot of memory).

Best,
Karol


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