“angstrom” should be enclosed in curly brackets, as in “{angstrom}”
SB
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Stefano Baroni, Trieste -- http://stefano.baroni.me> On 14 Mar 2019, at 04:49, Haider Abbas <[email protected]> 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 > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
