[CP2K-user] space group
Pierre-André Cazade
pierre.a... at gmail.com
Thu Nov 7 16:35:06 UTC 2019
Dear users,
Is there a way to conserve/constraint the space group of crystal when
performing a CELL_OPT in the same way we can constraint the lattice system
with the keywords KEEP_SYMMETRY and KEEP_ANGLES?
Many thanks,
Pierre
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191107/bbaea9d1/attachment.htm>
More information about the CP2K-user
mailing list