[CP2K-user] missing atoms in cell after REORDER
Mozhdeh
mozhdehmo... at gmail.com
Tue May 21 10:26:46 UTC 2019
here is my input and output files
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190521/80ba0b09/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: mof-801-wdv-xc-opt.inp
Type: chemical/x-gamess-input
Size: 1634 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190521/80ba0b09/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: mof-801-wdv-xc-opt.out
Type: application/octet-stream
Size: 3403218 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190521/80ba0b09/attachment.obj>
More information about the CP2K-user
mailing list