[QE-users] running error (cannot read atomic specie from: ATOMIC_POSITIONS angstrom)

[Paolo Giannozzi]

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 <baroni at sissa.it> wrote:

> “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 <haiderabbasphy at gmail.com> wrote:
> >
> > 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  -0.00000
> > C  -6.80703    -1.41624  0.00000
> > C   -6.80703    1.41540  0.00000
> > C   -6.80713    2.83295  0.00000
> > C   -5.58723   -3.54038  -0.00000
> > C   -4.36717   -2.83382  -0.00000
> > C   -4.36698   -1.41624  0.00000
> > C    -5.58703   -0.70905  0.00000
> > C   -5.58703    0.70821  -0.00000
> > C   -4.36698    1.41540  0.00000
> > C   -4.36717    2.83295  0.00000
> > C   -5.58723    3.53945  0.00000
> > C   -3.14706   -4.96028  0.00000
> > C   -3.14718   -3.54038  -0.00000
> > C   -3.14718    3.53945 0.00000
> > C   -3.14706    4.95935  -0.00000
> > C   -1.92708   -5.66473  0.00000
> > C   -1.92718   -2.83382  -0.00000.
> > .
> > ..........
> >
> > could you please help me to overcome this problem.
> >
> > regards
> >
> > Haider Abbas
> >
> >
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>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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