I am running DFT simulation for spinel ferrites with 56 atoms on laptop with 4GB RAM intel i5 processor. After the initial run I got error #2070, the software asked me to set the %mem=1900MW. I set it at that value. The software terminated calculations with the same error message. Could anyone help?
This error is occurring due to memory limitation of 32-bit software.
try Gaussian 09 64 bit.
http://www.gaussian.com/g_prod/g09w.htm
Dear Surender,
this is not due to mem, it is l302 which is related to ECP integral, you have Znn atom but you specified 6-31 for Zn,while 6-31G applies to H to Cl, please specify proper basis set for Zn. You need to know Gen keyword.
Best wishes,
Sirous
Note that 1900 MW is roughly 15 GB of RAM, more than you indicate that you have available.
Sirous is correct about needing a basis set appropriate for Zn but I don't think your calculation is getting that far. Windows 32 bit can only address up to 4Gb of memory, I think (which is probably why your laptop came with 4Gb).
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