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Replies | Post Reply | Shakespeare Queries & Replies From Everyone Else 3.15.97: Top | Help
Well, I am delighted to see us learning from each
other.. :-))
Just to give back something here:
I am calculating electronic properties of a molecule
which is a look-a-like to a sandwich: 3 layers, that
are separated by some Angstroms, i.e. some 10^(-10)m.
The problem is, that, in order to get to know something
about the region in between the layers, i have to place
'ghost atoms' to the points i am interested in.
They do not have a chemical meaning, they are just there
to have a point that one later can refer to and extract
the properties: "Any how" defined, not chemically so, they
are referred to with the symbol "Bq" in my input routine.
Great gossip on our aisles here, thank you, Florence!Marcus
Posted by Marcus Gastreich on March 26, 1997 at 06:28:50
In Reply to "Reference" posted by JTJ on March 25, 1997 at 06:34:03
Replies | Post Reply | Shakespeare Queries & Replies From Everyone Else 3.15.97: Top | Help