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CASTEP Geometry Optimization: Step-by-Step Guide|
Автор: Materials Studio Zone
Загружено: 2025-06-03
Просмотров: 848
Описание:
Learn calculation steps for geometry optimization in CASTEP within Material Studio. This detailed tutorial breaks down the entire process, guiding you from initial setup to interpreting your optimized structures. Perfect for anyone looking to accurately relax structures and prepare for further DFT calculations in computational materials science.
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#GeometryOptimization
#MaterialStudio
#DFT
#ComputationalMaterialsScience
#MaterialsScience
#SimulationTutorial
#QuantumChemistry
#MaterialModeling
#DFTCalculation
#ScientificComputing
#ResearchTutorial
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