[ase-users] Question about Constant temperature MD to melt the nanotube

[Ask Hjorth Larsen]

Dear Hind Almisbahi

2013/4/15 Hind Almisbahi <halmisbahi at kau.edu.sa>:
> Dear All
>
> I am new to ASE. I went through the tutorials and I am trying to make the
> same as the example of  melting a chunck of copper as in this link
> (https://wiki.fysik.dtu.dk/ase/tutorials/md/md.html) under the constant
> temperature MD. I am trying to see the melting point of the nanotube so I
> wrote the following script:
>
> ***************************
> from ase.structure import nanotube
> from ase.calculators.emt import EMT
(...)

The C potential was never meant to work well.  It's there so that one
can run *something* (e.g. for testing).  Please see the documentation
for the EMT calculator:

  https://wiki.fysik.dtu.dk/ase/ase/calculators/emt.html

Regards
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