DPlot: Failed to allocate values 0


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12:28:41 PM PST - Tue, Feb 18th 2014
DPlot: Failed to allocate values 0
Quote:Edoapra Feb 18th 9:52 am
You should decrease the number of grid points, for example
-7.0 7.0 60

-7.0 8.0 60

-6.0 6.0 50


If this modified input works, you should try to slowly increase the number of grid points until you run out of memory again



Thanks for your suggestion,I have tried fewer grid points before, but decreasing the number of grid points lead to bad results of total electron numbers, so at least we need to have 10 grid points/atomic unit.
philip