| 10:26:13 AM PST - Wed, Nov 13th 2013 |
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I have the following error when I run NWChem on a "standard" input file. I can't seem to find the error, though it must be in the geometry input section, since the error is thrown when NWChem would start to read the input geometry. My input geometry section looks like this:
Quote:NWChem input geometry center noautoz print
system crystal
lat_a 12.97270
lab_b 12.97270
lat_c 12.97270
alpha 90.
beta 90.
gamma 90.
end
La 0.1271738478735495 0.0001289632349757 0.2488289422159110
La 0.8683221836142911 0.0043126638028192 0.7431958784047110
La 0.3743483075301383 0.0039973664945626 0.7420689378922523
....
end
Does this error message give you any clues as to where I should look?
Quote:NWChem output
------------------------------------------------------------------------
system_input: invalid/missing system 0
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:system_input: invalid/missing system:: -1
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