Actually this is no longer needed: brackets can be there but their presence
is not required
Paolo
On Thu, Mar 14, 2019 at 6:35 AM Stefano Baroni wrote:
> “angstrom” should be enclosed in curly brackets, as in “{angstrom}”
> SB
> ___
> Stefano Baroni, Trieste -- http://stefano.baroni.me
>
> > On
On Thu, Mar 14, 2019 at 4:56 AM Haider Abbas
wrote:
>
> Error in routine card_atomic_species (5010):
> cannot read atomic specie from: ATOMIC_POSITIONS angstrom
>
you should have "ntyp" atomic species in the ATOMIC_SPECIES card, but you
have less than that
Paolo
--
Paolo Giannozzi, Dip.
“angstrom” should be enclosed in curly brackets, as in “{angstrom}”
SB
___
Stefano Baroni, Trieste -- http://stefano.baroni.me
> On 14 Mar 2019, at 04:49, Haider Abbas wrote:
>
> Dear all,
> Running quantum espresso with the input coordinates given below shows the
> error
>
> Error in routine
Dear all,
Running quantum espresso with the input coordinates given below shows the
error
Error in routine card_atomic_species (5010):
cannot read atomic specie from: ATOMIC_POSITIONS angstrom
the input co-ordinates are
ATOMIC_POSITIONS angstrom
C -6.80713 -2.83382 -0.0
C -6.80
