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set mixang option

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Dear developers,

is there documentation for the "set mixang" option? Which value of this option is appropriate (for example to obtain BS singlet)?

  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi,

Check the following uploads for examples:

1) Using the "mixang" directive
http://www.nwchem-sw.org/images/O3_singl.nw

2) Using the fragment guess option
http://www.nwchem-sw.org/images/O3_af.nw

Best regards,
-Niri


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