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First Principle Electronic Structure Calculation

First Principle Electronic Structure Calculation. Prof. Kim Jai Sam (279-2077). Students : Lee Geun Sik, Yun So Jeong. Lab. 공학 4-125 (279-5523). http://ctcp.postech.ac.kr. Our Research Area. Optical property of nanocrystal (Yun)  optoelectronics, biology

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Interface HFBTHO/HFODD and Comments on Parallelization

Interface HFBTHO/HFODD and Comments on Parallelization. UTK-ORNL DFT group. HFBTHO Cylindrical HO Basis Axial symmetry and time-reversal symmetry. HFODD Cartesian HO basis Symmetry unrestricted. Interface HFBTHO/HFODD. Principle Unitary transformation Cylindrical to Cartesian

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