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

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Satinelamp opened this issue Jun 13, 2022 · 1 comment
Open

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

Satinelamp opened this issue Jun 13, 2022 · 1 comment

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

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@pritampanda15 @Satinelamp