Starting a CP2K calculation from a user supplied charge density file?

Lianheng Tong tongli... at gmail.com
Mon Jan 20 15:43:54 UTC 2014


Hi all,

This is my first post.

I am wondering if anyone knows a way of calculating the non-self-consistent 
DFT energy from an initial subsystem structure and a user supplied electron 
density file (such as in CUBE format).  The exact format for the charge 
density is not that important, as we can convert.

Thank you very much in advance!

Best regards,

Lianheng


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