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balabi木虫 (正式写手)
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[求助]
请问pw的K_POINTS中tpiba_c是什么意思
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根据input_pw.html的说明， tpiba_c : Used for band-structure contour plots. k-points are in units of 2 pi/a. nks must be 3. 3 k-points k_0, k_1, and k_2 specify a rectangle in reciprocal space of vertices k_0, k_1, k_2, k_1 + k_2 - k_0: k_0 + \alpha (k_1-k_0)+ \beta (k_2-k_0) with 0 <\alpha,\beta < 1. The code produces a uniform mesh n1 x n2 k points in this rectangle. n1 and n2 are the weights of k_1 and k_2. The weight of k_0 is not used. 实在是不知所云，请教一下，这究竟是取了什么样的k点？ |
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