| 12:48:07 PM PST - Mon, Feb 15th 2016 |
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Bikasha
It's hard to tell what caused your crash. Could you provide a few more lines of the end of your output file?
Anyhow, I would recommend the following changes to your input file
1) add spherical to your basis set line to reduce the number of linear dependencies
2) add the smear keyword to you dft input section since your molecule is likely to have plenty of close energy levels
3) remove cgmin since the default diis solver is likely to be more effective
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