Find Coulomb integral subroutine

tao yu fud... at gmail.com
Tue Feb 13 14:23:07 UTC 2018


Hi,

I would like to know to local the subroutine to calculate the 
electron-electron Coulomb integral and the corresponding references for the 
detailed calculation algorithm used in cp2k.

Many thanks,

Tao
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180213/78c6e397/attachment.htm>


More information about the CP2K-user mailing list