'GEOMETRY wrong or EMAX_SPLINE too small': can anyone help me to solve?

Enlong Liu liuen... at gmail.com
Wed Mar 5 12:12:01 UTC 2014


Dear fellows,

I want to do a cell_opt to bulk-like Ag metal. But the program shows 
'GEOMETRY wrong or EMAX_SPLINE too small' every time. The structure of Ag I 
use can be shown normally in VMD, so what other possibilities can it be for 
this kind of error? 

Thanks a lot for your help!

PS: the input file and xyz file of Ag is in the attachment.

Best regards,
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