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yutiande新蟲 (初入文壇)
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[求助]
MS計(jì)算優(yōu)化晶格不收斂
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Warning: electronic minimisation did not converge when finding ground state. Error in geom_get_forces - electronic_minimisation of current_cell failed Current trace stack: geom_get_forces geom_BFGS geometry_optimise castep |
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