Regarding the usage of CALYPSO with VASP

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323DS0002 Golla Tejaswini

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Dec 3, 2024, 1:20:32 PM12/3/24
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Hi all
I am new to using CALYPSO.
I am trying to predict the two-dimensional structure from a given chemical composition. when I submit the calculation, hundreds of results directories are generated and when I run the cak.py all enthalpy values are seen as null.

kindly help me in overcoming this issue.

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Dec 3, 2024, 1:20:48 PM12/3/24
to 323DS0002 Golla Tejaswini

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