status NMR shifts with cp2k

akohlmey akoh... at gmail.com
Fri Apr 27 16:12:19 UTC 2007


hi,

can anybody comment on the current status of the NMR linear response
module?
if i set this keyword in the input it seems to be ignored.
is this intentional or does it require additional flags?

thanks,
   axel.




More information about the CP2K-user mailing list