Simons-Foundation-CCQ-Project
所属分类：物理/力学计算
开发工具：Jupyter Notebook
文件大小：0KB
下载次数：0
上传日期：2023-08-01 21:58:52
上 传 者：
sh-1993
说明： 这个存储库保存了我将要做的一切，作为2023年夏季计算量子物理中心项目的一部分。这主要是...，
(This repository holds most of what I did as part of my summer 2023 project at the Flatiron Institute Center for Computational Quantum Physics (CCQ). This mainly entails the investigation of the tight binding model on various toy models, and more importantly transition metal compounds.)
文件列表:
Comparing Minimal Models.png (104150, 2023-11-25)
La2CuO4 Files/ (0, 2023-11-25)
La2CuO4 Files/.ipynb_checkpoints/ (0, 2023-11-25)
La2CuO4 Files/.ipynb_checkpoints/lco-checkpoint.inp (32, 2023-11-25)
La2CuO4 Files/conv.err (268, 2023-11-25)
La2CuO4 Files/conv.out (480, 2023-11-25)
La2CuO4 Files/lco-dos.dat (22836, 2023-11-25)
La2CuO4 Files/lco.amn (89279, 2023-11-25)
La2CuO4 Files/lco.chk (104853, 2023-11-25)
La2CuO4 Files/lco.eig (49735, 2023-11-25)
La2CuO4 Files/lco.h5 (112970, 2023-11-25)
La2CuO4 Files/lco.inp (36, 2023-11-25)
La2CuO4 Files/lco.mmn (3262029, 2023-11-25)
La2CuO4 Files/lco.nnkp (111593, 2023-11-25)
La2CuO4 Files/lco.nscf.in (19065, 2023-11-25)
La2CuO4 Files/lco.nscf.out (355194, 2023-11-25)
La2CuO4 Files/lco.pw2wan.in (190, 2023-11-25)
La2CuO4 Files/lco.pw2wan.out (9264, 2023-11-25)
La2CuO4 Files/lco.win (14775, 2023-11-25)
La2CuO4 Files/lco.wout (93456, 2023-11-25)
La2CuO4 Files/lco.wpout (50466, 2023-11-25)
La2CuO4 Files/lco_band.dat (12246, 2023-11-25)
La2CuO4 Files/lco_band.gnu (381, 2023-11-25)
La2CuO4 Files/lco_band.kpt (15966, 2023-11-25)
La2CuO4 Files/lco_band.labelinfo.dat (545, 2023-11-25)
La2CuO4 Files/lco_centres.xyz (519, 2023-11-25)
La2CuO4 Files/lco_hr.dat (21923, 2023-11-25)
La2CuO4 Files/lco_u.mat (26826, 2023-11-25)
La2CuO4 Files/lco_u_dis.mat (69358, 2023-11-25)
La2CuO4 Files/lco_wannier.h5 (207765, 2023-11-25)
La2CuO4 Files/lco_wsvec.dat (21041, 2023-11-25)
Minimum Tight-Binding Model Example.png (529904, 2023-11-25)
PdCoO2 Files/ (0, 2023-11-25)
PdCoO2 Files/PdCoO2.win (134994, 2023-11-25)
PdCoO2 Files/PdCoO2.wout (705966, 2023-11-25)
PdCoO2 Files/PdCoO2_centres.xyz (351, 2023-11-25)
PdCoO2 Files/PdCoO2_hr.dat (124347, 2023-11-25)
Plotting Minimal Models.ipynb (144082, 2023-11-25)
Poster and Research Presentations/ (0, 2023-11-25)
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# Generating Analytical Tight-Binding Expressions from First-Principle Calculations
This repository holds most of what I did as part of my summer 2023 project at the Flatiron Institute Center for Computational Quantum Physics (CCQ). This mainly entails the investigation of the tight binding model on various toy models, and more importantly transition metal compounds.
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