deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Examples test failed at 20241120 #5535

Closed pxlxingliang closed 4 days ago

pxlxingliang commented 5 days ago

Describe the Testing Issue

The examples test failed at 20241120 for cases "scf" and "bsse" https://app.bohrium.dp.tech/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fsched-abacustest-exampletest-e160f3

For example "basse", the result is not same to the reference, and for example "scf", the INPUT file is incorrect because ecutwfc is defined twice.

Additional Context

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