error reading cube file for crystals

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Yun Liu

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Oct 4, 2023, 3:28:53 AM10/4/23

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I'm getting the error 'ValueError: Surface level must be within volume data range', when trying to load .cube file generated from Quantum Espresso and CP2K, for periodic systems.

Attached is a sample of the cube file loaded using VESTA.

Any help on this issue? Thanks.

perovskite.png

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