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@@ -65,7 +65,9 @@ This is usually caused by overloading of CPUs' memory without specifying thread
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**2. My relaxation failed. How to deal with it?**
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This is usually caused by the difficulty in converging charge density. Reducing charge mixing coefficient (`mixing_beta`) might help. For large systems over 1000 atoms, it is suggested to choose the `pulay-kerker` method as the `mixing_type`.
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This is usually caused by the difficulty in converging charge density. Reducing charge mixing coefficient (`mixing_beta`) might help. For large systems up to hundreds of atoms, it is suggested to choose the Kerker mixing method by setting parameter "mixing_gg0" as "1.5".
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Sometimes, loose convergence threshold of charge density (parameter "scf_thr") will cause atomic forces not correctly enough, please set it at most "1e-7" for relaxation calculation.
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