[CP2K:5050] Re: restarting from an already optimized structure
Florian Schiffmann
flosch... at gmail.com
Sun Mar 9 18:20:11 UTC 2014
I had a look at your system. and it looks tricky to reduce cost if you
insist on free boundary conditions. You might be able to use a 50x50x10
unit cell and use the MT poisson solver. This should half the cost of the
grids. Otherwise use MT in slab boundaries and take the cell large enough
to avoid interactions maybe 38x38x10 is enough. unfortunately I don't have
many better ideas to do the computations any cheaper.
Flo
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