清华DFT课件
vasp 

Directory: Other systems
Plat: Python
Size: 17932KB
Downloads: 0
Upload time: 2020-10-18 15:10:32
Uploader: 瑞莱克斯君
Description:   First principles calculation

File list:
1原子间相互作用的描述.pdf, 816876 , 2020-10-16
2.1-2DFT基础.pdf, 718193 , 2020-10-16
2.3密度矩阵.pdf, 929840 , 2020-10-16
2.4_KS方程.pdf, 397415 , 2020-10-16
2.5_LDA近似_.pdf, 520283 , 2020-10-16
3.1_赝势及其构造方法I.pdf, 533349 , 2020-10-16
3.1_赝势及其构造方法II.pdf, 528699 , 2020-10-16
3.2_能带、总能与原子受力.pdf, 348505 , 2020-10-16
3.3_PlaneWave.pdf, 709496 , 2020-10-16
3.4_混合基组LAPW%2BLO.pdf, 132521 , 2020-10-16
3.5_准线性算法.pdf, 138986 , 2020-10-16
4_review_of_codes.pdf, 47050 , 2020-10-16
5.1_abInitio_MD.pdf, 858351 , 2020-10-16
5.2_TDDFT.pdf, 15075443 , 2020-10-16

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