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 <[email protected]> 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 <[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 -- 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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