I would like to calculateCR-CCSD(T) energy of silver cluster using aug-cc-PV5Z-pp basis set with NWChem 5.1.1, and my basis input is like
basis
* library aug-cc-pv5z-pp file /home/it1/li/basis/
end
and my basis set file is in /home/it1/li/basis/ with the name aug-cc-pv5z-pp, the content comes from EMSL :
BASIS "ao basis" PRINT
- BASIS SET: (16s,13p,11d,4f,3g,2h,1i) -> [7s,7p,6d,4f,3g,2h,1i]
Ag S
25508.1000000 0.0000040 -0.0000010 -0.0000020 -0.0000040 0.0000040 0.0000170
etc.
end
but the output says:
Summary of "ao basis" -> "" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
* aug-cc-pv5z-pp on all atoms
library name resolved from: environment
library file name is: </soft/nwchem/5.1.1/src/basis/libraries/>
bas_tag_lib: failed to locate ag_aug-cc-pv5z-pp in file /home/it1/lirun/basis/
------------------------------------------------------------------------
bas_tag_lib: no such basis available 0
Can someone help me with it?
Thanks!
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