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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