Dear vasp users,
I check a file which contains the geometry of the system after calculation (distance between atoms, angles...). I think this informations are not contained in the CONTCAR file which is similar to the POSCAR file.
Thank you for your answers,
geometry file
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nandreu7
geometry file
Last edited by nandreu7 on Sun Jan 11, 2009 2:43 pm, edited 1 time in total.
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physicalattraction
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geometry file
The CONTCAR file gives you the coordinates of the positions of the ions. From that, you can calculate distances and angles for yourself.
Last edited by physicalattraction on Mon Jan 12, 2009 7:54 am, edited 1 time in total.