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--></style></head><body lang=EN-US link=blue vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><div><p class=MsoNormal>Dear experts, I want to reproduce the results for the confirmation of Chern and Z2 topological invariants as calculated in the manuscript “Software implementation for calculating Chern and <span style='font-family:"Cambria Math",serif'>ℤ</span>2 topological invariants of crystalline solids with WIEN2k all-electron density functional package” by Gomez, et. al. <a href="https://doi.org/10.48550/arXiv.2303.16306">https://doi.org/10.48550/arXiv.2303.16306</a> (DOI: 10.48550/arXiv.2303.16306).</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>For this I have tried with the tutorial by Rubel available in https://github.com/rubel75/BerryPI When I run the wcc.py in my case directory (where I have done my PBE+SOC calculation) I got the following results </p><p class=MsoNormal>Total Berry phase on each Wislon loop for bands 61-78:</p><p class=MsoNormal>------------------------------------------------------</p><p class=MsoNormal> i k Phase wrap. Phase unwrap.</p><p class=MsoNormal> (rad) (rad)</p><p class=MsoNormal>------------------------------------------------------</p><p class=MsoNormal> 1 [0.000, 0.000, ***] 56.549 0.000</p><p class=MsoNormal> 2 [0.000, 0.026, ***] 56.549 -0.000</p><p class=MsoNormal> 3 [0.000, 0.053, ***] 56.549 -0.000</p><p class=MsoNormal> 4 [0.000, 0.079, ***] 56.549 0.000</p><p class=MsoNormal> 5 [0.000, 0.105, ***] 56.549 0.000</p><p class=MsoNormal> 6 [0.000, 0.132, ***] 56.549 -0.000</p><p class=MsoNormal> 7 [0.000, 0.158, ***] 56.549 -0.000</p><p class=MsoNormal> 8 [0.000, 0.184, ***] 56.549 -0.000</p><p class=MsoNormal> 9 [0.000, 0.211, ***] 56.549 0.000</p><p class=MsoNormal>10 [0.000, 0.237, ***] 56.549 -0.000</p><p class=MsoNormal>11 [0.000, 0.263, ***] 56.549 0.000</p><p class=MsoNormal>12 [0.000, 0.289, ***] 56.549 -0.000</p><p class=MsoNormal>13 [0.000, 0.316, ***] 56.549 -0.000</p><p class=MsoNormal>14 [0.000, 0.342, ***] 56.549 -0.000</p><p class=MsoNormal>15 [0.000, 0.368, ***] 56.549 -0.000</p><p class=MsoNormal>16 [0.000, 0.395, ***] 56.549 -0.000</p><p class=MsoNormal>17 [0.000, 0.421, ***] 56.549 -0.000</p><p class=MsoNormal>18 [0.000, 0.447, ***] 56.549 0.000</p><p class=MsoNormal>19 [0.000, 0.474, ***] 56.549 0.000</p><p class=MsoNormal>20 [0.000, 0.500, ***] 56.549 0.000</p><p class=MsoNormal>------------------------------------------------------</p><p class=MsoNormal>Here "***" refer to the direction of the Wilson loop.</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Where the value of wrap. remains constant in my case. I don't know what the mistake I have done. Also in the manuscript by Gomez and Rubel there is a plot in Figure 4 (a,b,c,d). I want to know how to plot this graph (is it from .csv file?). Also they have performed a reduce SOC calculation by increasing the speed of light from 137 to 300. In which file/step we can change the value of c. </p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Dear experts if possible please upload a video tutorial my mentioning the steps on how to confirm Chern and Z2 topological invariants by Berryphse. It will be a great help for the researchers.<o:p></o:p></p><div><p class=MsoNormal><span class=visually-hidden><o:p> </o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Regards<o:p></o:p></p><p class=MsoNormal>Burhan Ahmed<o:p></o:p></p><p class=MsoNormal><b>Research Scholar, AUS <o:p></o:p></b></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>