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【讨论】win2K能带图数据第四列是怎么得到的？
bandindex:& && && &&&1
& &0.57825& &0.28912& &0.00000& &0.072
& &0.56379& &0.28912& &0.01446& &0.076
& &0.54933& &0.28912& &0.02891& &0.086
& &0.53488& &0.28912& &0.04337& &0.001
& &0.52042& &0.28912& &0.05782& &0.021
& &0.50597& &0.28912& &0.07228& &0.145
& &0.49151& &0.28912& &0.08674& &0.174
& &0.47705& &0.28912& &0.10119& &0.108
& &0.46260& &0.28912& &0.11565& &0.143
& &0.44814& &0.28912& &0.13011& &0.180
& &0.43368& &0.28912& &0.14456& &0.220
& &0.41923& &0.28912& &0.15902& &0.256
& &0.40477& &0.28912& &0.17347& &0.293
& &0.39032& &0.28912& &0.18793& &0.230
& &0.37586& &0.28912& &0.20239& &0.261
& &0.36140& &0.28912& &0.21684& &0.391
& &0.34695& &0.28912& &0.23130& &0.315
& &0.33249& &0.28912& &0.24575& &0.335
& &0.31804& &0.28912& &0.26021& &0.350
& &0.30358& &0.28912& &0.27467& &0.361
& &0.28912& &0.28912& &0.28912& &0.466
& &0.27467& &0.27467& &0.27467& &0.473
& &0.26021& &0.26021& &0.26021& &0.400
& &0.24575& &0.24575& &0.24575& &0.443
& &0.23130& &0.23130& &0.23130& &0.506
& &0.21684& &0.21684& &0.21684& &0.578
& &0.20239& &0.20239& &0.20239& &0.563
& &0.18793& &0.18793& &0.18793& &0.558
& &0.17347& &0.17347& &0.17347& &0.664
& &0.15902& &0.15902& &0.15902& &0.676
& &0.14456& &0.14456& &0.14456& &0.690
& &0.13011& &0.13011& &0.13011& &0.604
& &0.11565& &0.11565& &0.11565& &0.716
& &0.10119& &0.10119& &0.10119& &0.722
& &0.08674& &0.08674& &0.08674& &0.720
& &0.07228& &0.07228& &0.07228& &0.707
& &0.05782& &0.05782& &0.05782& &0.881
& &0.04337& &0.04337& &0.04337& &0.838
& &0.02891& &0.02891& &0.02891& &0.881
& &0.01446& &0.01446& &0.01446& &0.808
& &0.00000& &0.00000& &0.00000& &0.913
& &0.01446& &0.00000& &0.00000& &0.914
& &0.02891& &0.00000& &0.00000& &0.905
& &0.04337& &0.00000& &0.00000& &0.990
& &0.05782& &0.00000& &0.00000& &0.970
& &0.07228& &0.00000& &0.00000& &0.944
& &0.08674& &0.00000& &0.00000& &0.913
& &0.10119& &0.00000& &0.00000& &1.076
& &0.11565& &0.00000& &0.00000& &1.034
& &0.13011& &0.00000& &0.00000& &1.086
& &0.14456& &0.00000& &0.00000& &1.035
& &0.15902& &0.00000& &0.00000& &1.079
& &0.17347& &0.00000& &0.00000& &1.020
& &0.18793& &0.00000& &0.00000& &1.056
& &0.20239& &0.00000& &0.00000& &1.190
& &0.21684& &0.00000& &0.00000& &1.119
& &0.23130& &0.00000& &0.00000& &1.147
& &0.24575& &0.00000& &0.00000& &1.174
& &0.26021& &0.00000& &0.00000& &1.101
& &0.27467& &0.00000& &0.00000& &1.125
& &0.28912& &0.00000& &0.00000& &1.149
& &0.30358& &0.00000& &0.00000& &1.273
& &0.31804& &0.00000& &0.00000& &1.297
& &0.33249& &0.00000& &0.00000& &1.223
& &0.34695& &0.00000& &0.00000& &1.249
& &0.36140& &0.00000& &0.00000& &1.278
& &0.37586& &0.00000& &0.00000& &1.208
& &0.39032& &0.00000& &0.00000& &1.242
& &0.40477& &0.00000& &0.00000& &1.378
& &0.41923& &0.00000& &0.00000& &1.318
& &0.43368& &0.00000& &0.00000& &1.358
& &0.44814& &0.00000& &0.00000& &1.307
& &0.46260& &0.00000& &0.00000& &1.360
& &0.47705& &0.00000& &0.00000& &1.318
& &0.49151& &0.00000& &0.00000& &1.481
& &0.50597& &0.00000& &0.00000& &1.449
& &0.52042& &0.00000& &0.00000& &1.427
& &0.53488& &0.00000& &0.00000& &1.407
& &0.54933& &0.00000& &0.00000& &1.492
& &0.56379& &0.00000& &0.00000& &1.483
& &0.57825& &0.00000& &0.00000& &1.480
& &0.57825& &0.01446& &0.00000& &1.580
& &0.57825& &0.02891& &0.00000& &1.580
& &0.57825& &0.04337& &0.00000& &1.580
& &0.57825& &0.05782& &0.00000& &1.580
& &0.57825& &0.07228& &0.00000& &1.579
& &0.57825& &0.08674& &0.00000& &1.579
& &0.57825& &0.10119& &0.00000& &1.575
& &0.57825& &0.11565& &0.00000& &1.675
& &0.57825& &0.13011& &0.00000& &1.675
& &0.57825& &0.14456& &0.00000& &1.674
& &0.57825& &0.15902& &0.00000& &1.674
& &0.57825& &0.17347& &0.00000& &1.674
& &0.57825& &0.18793& &0.00000& &1.676
& &0.57825& &0.20239& &0.00000& &1.676
& &0.57825& &0.21684& &0.00000& &1.776
& &0.57825& &0.23130& &0.00000& &1.776
& &0.57825& &0.24575& &0.00000& &1.776
& &0.57825& &0.26021& &0.00000& &1.773
& &0.57825& &0.27467& &0.00000& &1.772
& &0.57825& &0.28912& &0.00000& &1.772
& &0.56379& &0.30358& &0.00000& &1.774
& &0.54933& &0.31804& &0.00000& &1.879
& &0.53488& &0.33249& &0.00000& &1.886
& &0.52042& &0.34695& &0.00000& &1.892
& &0.50597& &0.36140& &0.00000& &1.897
& &0.49151& &0.37586& &0.00000& &1.803
& &0.47705& &0.39032& &0.00000& &1.908
& &0.46260& &0.40477& &0.00000& &1.916
& &0.44814& &0.41923& &0.00000& &1.919
& &0.43368& &0.43368& &0.00000& &1.919
前面三列是K点，最后一列是能带，第四列是怎么得到的？（最好给出得到第四列的方法）
第一brilliouin区内的k点分布是均匀分布的，“上图中第四列相邻两个数的间隔是：0.045交替的”，这是沿着高对称点所围绕的封闭曲线上的相邻的k点距离，这个距离是由前三列给出的坐标算出来的。（可能程序计算时近似得到的，有一点点偏差）
0.44814& &0.41923& &0.00000& &1.919
& &0.43368& &0.43368& &0.00000& &1.919
“最后一个数值1.98147 是如何得到的”，你计算一下这两点之间的距离，大约为0........，再加上1.96102，就得到了1........
不知道我说明白了吗？请各位指正:)
0.57825& &0.28912& &0.00000& &0.072
& &0.56379& &0.28912& &0.01446& &0.076
设前两个k点的坐标(x1,y1,z1)和(x2,y2,z2)
sqrt((x1-x2)*(x1-x2)+(y1-y2)*(y1-y2)+(z1-z2)*(z1-z2)) = 0.02044
你各个坐标带入，就得到0.02044。
不知道我说清楚了吗？请大家指正:)
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