'Wannier functions' presentation slideshows

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????? ?????? ????? ????? ????? 12-14 ??? 1387 ???? ?????? ??????? ??????. Introduction to Maximally-Localized Wannier Functions Nafise Rezaei, Zahra Torbatian, Hoda Jebeli S. Javad Hashemifar Physics Departments, Isfahan University of Technology. Bloch Theory.

438 views • 43 slides

Impact of HPC on Chemistry and Environment

Impact of HPC on Chemistry and Environment. Eluvathingal D. Jemmis Department of Inorganic and Physical Chemistry Indian Institute of Science, Bangalore 560 012 And Indian Institute of Science Education and Research Thiruvananthapuram CET Campus, Thiruvananthapuram 695 016 Kerala.

580 views • 40 slides

Javier Junquera

How to run wannier90 directly from siesta. Javier Junquera. Important bibliography:. For a review on Maximally Localized Wannier functions :. Important bibliography:. The user guide of the wannier90 code. Freely available from : http :// www.wannier.org.

538 views • 38 slides

Tools and methods for multiscale biomolecular simulations

Tools and methods for multiscale biomolecular simulations. Celeste Sagui Department of Physics, NC State University, Raleigh NC.

367 views • 36 slides

Flat band s uperfluidity and q uantum m etric

419 views • 34 slides

Intrinsic Localized Modes in Nonlinear Photonic Crystals

624 views • 33 slides

399 views • 30 slides

Localization tensor calculations on quantum dots in DFT and VMC

480 views • 28 slides

Electron poor materials research group

Electron poor materials research group. Wannier in abinit. ZnSb, 4x4x4 vs 6x6x6 kpt grids April 7. 2011. Procedure. Steal relaxed structure from VASP calculation Run Abinit to get the maximally locallized wannier functions (MLWF).

242 views • 12 slides

Electron poor materials research group

Electron poor materials research group. Wannier in abinit. ZnSb, 4x4x4 vs 6x6x6 kpt grids April 7. 2011. Procedure. Steal relaxed structure from VASP calculation Run Abinit to get the maximally locallized wannier functions (MLWF).

212 views • 12 slides