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

[Stefano Baroni]

“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
> 
> 
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users