电化学储能材料设计平台帮助文档
Contents
1. Compute Module
1.1. Screening of configurations
1.1.1. Calculation of Madelung constant of structural sites
1.1.2. Ewald Summation
1.1.3. BV-Ewald Analysis
1.1.4. Electrostatic Matching Analysis
1.2. Screening of Channel
1.3. Phase Diagram Construction
1.4. Structure Identification
1.5. 渗流计算
2. Data Module
电化学储能材料设计平台帮助文档
1.
Compute Module
1.1.
Screening of configurations
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1.1.
Screening of configurations
1.1.1. Calculation of Madelung constant of structural sites
1.1.2. Ewald Summation
1.1.3. BV-Ewald Analysis
1.1.4. Electrostatic Matching Analysis