'noautoz'


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Quote:Miro ilias Oct 21st 11:18 am
Hello,

I am returning to this old post, because I hit the same error using the test input
on NWChem github, https://github.com/nwchemgit/nwchem/wiki/Sample#job-1-single-point-scf-energy

Adding the 'noautoz' keyword helped. Maybe it would be good to adjust this example input.


Miro,
Could you please post the geometry that resulted in this problem?
I am asking this question since the input file with the wiki should work without noautoz.
If noautoz is required, instead, it's likely that there are issues with the NWChem installation.
Thanks