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I'm trying to use Quantum Vitas to create Quantum Espresso input from a crystal CIF file. However, when I open the file (I cant attach the file, so the code is 1142902.cif), I can't recognize the molecules, only atoms randomly scattered in the cell unity. On the other hand, it is normal in VESTA, I can see the molecules.
Is there a problem working with this CIF file without rearranging the atoms? If yes, how can I do that?
Thank you for your help and time!
The text was updated successfully, but these errors were encountered:
Dear,
I'm trying to use Quantum Vitas to create Quantum Espresso input from a crystal CIF file. However, when I open the file (I cant attach the file, so the code is 1142902.cif), I can't recognize the molecules, only atoms randomly scattered in the cell unity. On the other hand, it is normal in VESTA, I can see the molecules.
Is there a problem working with this CIF file without rearranging the atoms? If yes, how can I do that?
Thank you for your help and time!
The text was updated successfully, but these errors were encountered: