[Pw_forum] cp.x output with cppp.x not showing correct atom type?

[Rolly Ng]

Hi all,

Found my careless mistakes, cppp.x demands atomic_number instead of 
atomic mass.

It works okay!

On 10/15/2016 02:28 PM, Rolly Ng wrote:
> Dear cp.x users,
>
> I have completed my first cp simulation with benzene and its output 
> with cppp.x to produce an axfs file.
>
> The geometry at ground state looks okay and the starting atomic 
> position was copied from a previous pw.x run with 'relax'.
>
> My question with the cp.x output is that the axfs file seems not 
> carrying the correct atomic type info? The carbon atom was 
> miss-identified as Mg?
>
> How can I correct my problem?
>
> Best,
> Rolly
>

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PhD. Research Fellow,
Dept. of Physics & Materials Science,
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