pritampanda15 / wxDragon

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Wrong result compared to the result in the youtube video #2

Open Satinelamp opened 2 years ago

Satinelamp commented 2 years ago

the Linux and Windows version of wxDragon doesn't get the same result as in the youtube video, the number of atoms is 5 instead of 4. Here is the crystal structure link from the material project : https://materialsproject.org/materials/mp-2133/

pritampanda15 commented 1 month ago

When you open the structure file export as POSCAR or Siesta fdf file and then check the no. of atoms.