Re: [Jmol-users] orbital isosurface default cutoff values

[Robert H. <ha...@st...>]

just looked good. It's a cutoff for the psi function. I believe that's
unitless.

On Wed, Oct 6, 2010 at 8:57 AM, Pshemak Maslak <pm...@ch...> wrote:

>  On 10/6/2010 9:24 AM, Robert Hanson wrote:
>
> The Java console reports the cutoff. I think it's 0.05.
>
>
> I found:
>
> MOs               0.05
> atomic orbitals 0.14
>
> Is there a "graphical" rationale for selecting certain values?
>
> Are these wavefunction values in atomic units?
>
> Thanks,
>
> PM
>
>
>
>
>
>
>
> On Wed, Oct 6, 2010 at 8:12 AM, Pshemak Maslak <pm...@ch...> wrote:
>
>>  I have a general question:
>>
>> What are the default cutoff values for atomic and molecular orbitals
>> isosurfaces generated by Jmol. Are they listed somewhere?
>>
>> Thanks,
>>
>> PM
>>
>
>
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
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If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900