[QE-users] running error (cannot read atomic specie from: ATOMIC_POSITIONS angstrom)
Haider Abbas
haiderabbasphy at gmail.com
Thu Mar 14 04:49:34 CET 2019
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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