Pulay hannover
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Pulay hannover
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WebSelf-consistent mixing methods. The potential mixing method that obtains a new input potential for the next self-consistent step is chosen by. mix_method broyden, … WebThe diagonal elements of the stress tensor are changed by a constant amount. So the Pulay stress is isotropic and has the effect to decrease the real fully relaxed volume. One way to …
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WebIn the Pulay mixing, the input vectors are combined assuming linearity to minimize the residual. The implementation in VASP is based on the work of Johnson [3] . Kresse and …
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