<DIV>Dear QE Users,</DIV>
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<DIV>I am trying to simulation a system with cell parameter represented below:</DIV>
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<DIV>&SYSTEM<BR> a = 9.66639e+00<BR> b = 1.08037e+01<BR> c = 1.65553e+01<BR> cosab = 1.72500e-01<BR> cosac = 1.52180e-01<BR> cosbc = 1.69516e-02<BR> ibrav = 14<BR> nat = 182<BR> ntyp = 5</DIV>
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<DIV>And I choose the uniform k grid as 6x6x6 for SCF calculation. But the eigenvalue between each k point (same band) are almost same. I also try calculate the band structure with k path:</DIV>
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<DIV> 0.0000000000 0.0000000000 0.0000000000 1.0<BR> 0.0000000000 0.0000000000 0.1666666667 1.0<BR> 0.0000000000 0.0000000000 0.3333333333 1.0<BR> 0.0000000000 0.0000000000 0.5000000000 1.0<BR> 0.0000000000 0.1000000000 0.4000000000 1.0<BR> 0.0000000000 0.2000000000 0.3000000000 1.0<BR> 0.0000000000 0.3000000000 0.2000000000 1.0<BR> 0.0000000000 0.4000000000 0.1000000000 1.0<BR> 0.0000000000 0.5000000000 0.0000000000 1.0<BR> 0.0000000000 0.3750000000 0.0000000000 1.0<BR> 0.0000000000 0.2500000000 0.0000000000 1.0<BR> 0.0000000000 0.1250000000 0.0000000000 1.0<BR> 0.0000000000 0.0000000000 0.0000000000 1.0<BR> -0.1000000000 0.0000000000 0.0000000000 1.0<BR> -0.2000000000 0.0000000000 0.0000000000 1.0<BR> -0.3000000000 0.0000000000 0.0000000000 1.0<BR> -0.4000000000 0.0000000000 0.0000000000 1.0<BR> -0.5000000000 -0.0000000000 -0.0000000000 1.0<BR> -0.5000000000 -0.1000000000 -0.1000000000 1.0<BR> -0.5000000000 -0.2000000000 -0.2000000000 1.0<BR> -0.5000000000 -0.3000000000 -0.3000000000 1.0<BR> -0.5000000000 -0.4000000000 -0.4000000000 1.0<BR> -0.5000000000 -0.5000000000 -0.5000000000 1.0<BR> -0.4166666667 -0.4166666667 -0.4166666667 1.0<BR> -0.3333333333 -0.3333333333 -0.3333333333 1.0<BR> -0.2500000000 -0.2500000000 -0.2500000000 1.0<BR> -0.1666666667 -0.1666666667 -0.1666666667 1.0<BR> -0.0833333333 -0.0833333333 -0.0833333333 1.0<BR> 0.0000000000 0.0000000000 0.0000000000 1.0<BR> -0.0833333333 -0.0833333333 0.0000000000 1.0<BR> -0.1666666667 -0.1666666667 0.0000000000 1.0<BR> -0.2500000000 -0.2500000000 0.0000000000 1.0<BR> -0.3333333333 -0.3333333333 0.0000000000 1.0<BR> -0.4166666667 -0.4166666667 0.0000000000 1.0<BR> -0.5000000000 -0.5000000000 -0.0000000000 1.0<BR> -0.5000000000 -0.4000000000 -0.1000000000 1.0<BR> -0.5000000000 -0.3000000000 -0.2000000000 1.0<BR> -0.5000000000 -0.2000000000 -0.3000000000 1.0<BR> -0.5000000000 -0.1000000000 -0.4000000000 1.0<BR> -0.5000000000 0.0000000000 -0.5000000000 1.0<BR> -0.4000000000 0.0000000000 -0.4000000000 1.0<BR> -0.3000000000 0.0000000000 -0.3000000000 1.0<BR> -0.2000000000 0.0000000000 -0.2000000000 1.0<BR> -0.1000000000 0.0000000000 -0.1000000000 1.0<BR> 0.0000000000 0.0000000000 0.0000000000 1.0<BR> 0.0002800000 -0.1005580000 0.0986140000 1.0<BR> 0.0005600000 -0.2011160000 0.1972280000 1.0<BR> 0.0008400000 -0.3016740000 0.2958420000 1.0<BR> 0.0011200000 -0.4022320000 0.3944560000 1.0<BR> 0.0014000000 -0.5027900000 0.4930700000 1.0 </DIV>
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<DIV>The band structure in the plot is flat. What is reason for that? Is there any mistake I made during the simulation? It will be very appreciated if you solve my question. Thank you.</DIV>
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<DIV>Best,</DIV>
<DIV>Yang Zhou</DIV>
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<DIV>Yang Zhou</DIV>
<DIV>PhD student</DIV>
<DIV>University of Leeds</DIV>
<DIV>United Kingdom </DIV>