sites do ifgwsites.ifi.unicamp.br/brum/files/2014/01/dft-abinit.pdf · mbj-kslda 4.9 1.2 0.9 2.3...
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![Page 1: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/1.jpg)
![Page 2: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/2.jpg)
![Page 3: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/3.jpg)
![Page 4: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/4.jpg)
S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.
![Page 5: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/5.jpg)
![Page 6: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/6.jpg)
Yin e Cohen, 1982.
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![Page 8: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/8.jpg)
Extraído do Marder.
![Page 9: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/9.jpg)
![Page 10: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/10.jpg)
![Page 11: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/11.jpg)
Staroverov et al., PRB (2004)
![Page 12: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/12.jpg)
Staroverov et al., PRB (2004)
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Staroverov et al., PRB (2004)
![Page 14: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/14.jpg)
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![Page 17: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/17.jpg)
![Page 18: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/18.jpg)
![Page 19: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/19.jpg)
S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.
![Page 20: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/20.jpg)
S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.
![Page 21: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance](https://reader036.vdocuments.site/reader036/viewer/2022071215/60447c785f7460329d040df6/html5/thumbnails/21.jpg)
Xe – Chaham et al.,
S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.