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‎source/_sources/01turborvb_manual/04DFT_driver.rst‎

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@@ -113,7 +113,10 @@ Parameters section
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| ``epsbas`` | NA | NA | Real space cutoff for the periodic basis set (keyword PBC_C in the first record of the wave function fort.10). Note that, if|
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| | | | DFT energy is different from what is expected, then try decreasing the cutoff. |
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+------------------+----------+---------+-----------------------------------------------------------------------------------------------------------------------------+
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| ``skip_equivalence`` | logic | ``.true.`` | Set it to ``.false.`` the code looks for the k-points equivalent by symmetry and takes only one of them in the star of the Brillouin zone, |
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| | | | by taking into account their degeneracy in the k summation. It is useful to reduce the number of k points explicitly calculated. |
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+------------------+----------+---------+-----------------------------------------------------------------------------------------------------------------------------+
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Molecule section
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

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