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Re^2: What does the "d5=1" option do?

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


Thanks for your comments, Alex,
i believed that use of this or that kind of basis set (spherical or cartesian) should not change the value of energy. Whether you can specify the reason (even briefly), on which energy nevertheless vary?
Thanks in advance.

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On Sun Nov 1 '09 1:11am, Alex Granovsky wrote
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>Hi,

>d5=1 is completely equivalent to d5=.t.
>Similarly, d5=0 is completely equivalent to d5=.f.

>This is just the simple extension recognized and accepted
>by the Firefly's input parser - one can use 0 and 1 instead of
>.true. and .false. to input any logical variables. The numeric
>input style is just a little bit compact...

>See

>http://classic.chem.msu.su/gran/gamess/spherical.htmlhttp://classic.chem.msu.su/gran/gamess/spherical.html

>for information on d5 option.

>regards,
>Alex Granovsky


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