[Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube

Leonardo Matheus leommj at usp.br
Fri Jun 18 00:01:46 CEST 2010


There is no problem on the coordinates, it's just a visualization
"problem". In XCrysden change "Display -> Unit of Repetition ->
Translational Asymmetric Unit". Keep in mind that in Espresso you have
periodic boundary conditions, and so what you was seeing were the
periodic images of each "quarter".

Leonardo Jorge
PhD Student
USP - Brazil

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