[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.

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