[CPMD-list] Questions of potential function and the visualization of bulk system

[Nevil]

Hi everyone:

I have two questions one is about the potential function and another for the visualization of bulk system.

1,For the potential function:
CPMD uses the Busing potential function which doesn't include the cation-anion interactions.
Is it possible to use Morse potential function which first has the same form as Busing function but then has one Morse-type potential more in it.

2,For the visualization of the bulk system:
I want to follow the example for the visualization of the bulk system in this website:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part5.html#chap7_sect5
But I don't know how to get the .cube file which has many moleculars in it. My .cube file just has one isolated molecular.

Is there anyone can help me?

Thank you very much.

Merry Christmas.
^^

Regards.

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