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Fix #4283

The List of Changes

  1. Change the default value of ecutwfc as 50 Ry for PW basis and 100 Ry for LCAO basis
  2. add a check for negative ecutwfc

@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Nov 2, 2024
@mohanchen mohanchen merged commit 18df359 into deepmodeling:develop Nov 2, 2024
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@WHUweiqingzhou WHUweiqingzhou deleted the ecut branch December 26, 2024 06:44
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…eepmodeling#5390)

* revalue ecutwfc by basis_type and add a check

* add some comments

* update the docs
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Question: about the default value setting of parameter ecutwfc

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