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最新版本: 
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评分: 
3

简介  
对周期体系(1D,2D,3D)进行全电子DFT计算的程序,计算使用Gaussian型轨道基组和拟合函数技术用于加快速度。程序还支持标量相对论、自旋轨道耦合和流密度泛函理论。