cell_opt of Ag increases the bond length

[Enlong Liu]

Dear all,

I am doing cell_opt for bulk Ag. The theoretical bond length of Ag is 2,89 
angstrom, but my result shows the length is 2,98, which I think is a large 
discrepancy. It seems like the whole cell blows up. it the common case for 
cell_opt of metal, or should I change some parameters in my input file like 
CUTOFF in MGRID and smear. The input file is in the attachment. 

Thanks a lot for your help!

Best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140310/33046021/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: input.inp
Type: chemical/x-gamess-input
Size: 7560 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140310/33046021/attachment.inp>