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I am trying to perform a geometry optimization (GEO_OPT) of a FCC 111 Pt_{0.5}Au_{0.5} bimetallic surface (10x10x3) generated from ASE, with a lattice parameter of 3.9 A∘A∘ in CP2K. However, after...
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Dear All, I am trying to simulate a ionic liquid-platinum surface system on gromacs. However, during the energy minimization, it shows to many LINCS warning during the execution and the execution...
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