cap.py installation

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Yury Fomin

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Apr 3, 2025, 3:09:41 AMApr 3
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Dear Calypso users!

I am new to Calypso. I have installed Calypso, ran the test and tried to get the results by cak.py program. However, the results are:

-bash-4.1$ more Analysis_Output.dat
        No.      Enthalpy            0.1
   1 (   1)          NULL        NULL(0)
   2 (   2)          NULL        NULL(0)
   3 (   3)          NULL        NULL(0)

Could anyone help me to solve this problem? Any help is appreciated!

Sincerely,
Yury Fomin



Pengyue gao

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Apr 3, 2025, 3:32:06 AMApr 3
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Maybe, your VASP doesn't work during the structure search. Please, check the path of vasp in the submit.sh file.

296389682

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Apr 3, 2025, 3:32:24 AMApr 3
to Pengyue gao

您的邮件已收到，我会尽快处理！

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Yury Fomin

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Apr 4, 2025, 3:54:38 AMApr 4
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Dear Gao,

Thank you very much for your reply. You were right. There was a problem with VASP.

Sincerely,
Yury Fomin

четверг, 3 апреля 2025 г. в 10:32:24 UTC+3, 296389682:
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