Dear all, While I tried to follow example18 of Wannier90 v3.1 with QuantumEspresso v6.5, I found asymmetric value between AHC_x and AHC_y. The result is following.
* Anomalous Hall conductivity Interpolation grid: 25 25 25 Fermi energy (ev): 12.6438 AHC (S/cm) x y z ========== -0.0003 -0.0063 552.3105 Or if I increase grid, * Anomalous Hall conductivity Interpolation grid: 50 50 50 Fermi energy (ev): 12.6438 AHC (S/cm) x y z ========== -2.3241 0.0155 648.0428 According to the solution_booklet, AHC_x and AHC_y in this case should be zero unless we turn on adaptive refinement grid. If we turn it on, they should agree at least its absolute value. As you see, my result does not have such restriction on AHC_x and AHC_y. Is this because of numerical error? or something has changed since the example was written? Best regards, P.S. If I do the same calculation with Wannier90 v3.0 then the result looks like this. * Anomalous Hall conductivity Interpolation grid: 25 25 25 Fermi energy (ev): 12.6438 AHC (S/cm) x y z ========== -0.9038 -0.9338 497.5371 * Anomalous Hall conductivity Interpolation grid: 50 50 50 Fermi energy (ev): 12.6438 AHC (S/cm) x y z ========== -45.7805 -44.3405 1049.8894 So the value itself changes depending on which version I use. ============================================ Minkyu Park Research Institute of Basic Sciences, University of Ulsan, 93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea [email protected]<mailto:[email protected]> +82-52-259-1473 ============================================
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