[QE-users] Error while parsing atomic position card
Stefano Baroni
baroni at sissa.it
Tue Dec 29 13:59:43 CET 2020
> On 29 Dec 2020, at 09:41, Bhumika Longakshi <longakshi_bhumika at iitgn.ac.in> wrote:
>
> Dear All,
>
> I have been trying to do AIMD simulation but it is giving me an error message: Error while parsing atomic position card. I checked for the tabs. Still it's not working.
>
> Below is the input script and the output message. Can you please help me with this?
>
> P.S. atomic positions are generated by MLIP(machine learning interatomic potential).
> Al -0.011954 6.141899 6.156176
> Al l2.055716 8.213606 6.14222
...
> ------------------------------------------------------------------------------------------------------------------------
> [eval_infix.c] A parsing error occurred
> helper string:
> l2.055716
> error code:
> Error: invalid token: l
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