<html>Dear all,<br />I would like to plot the band structure obtained with HSE.<br />I try the trick proposed by Lorenzo: adding the K points I want to plot with weight 0 after the standard list of k points,<br />but I get the error "wrong EXX q grid".<br /><br />Note that the first part of the list corresponds to an automatic 5 5 3 0 0 0 mesh, and that adding nqx1=5, nqx2=5, ndx3=3<br />CRASHs with "k + q is not an S*k"<br /><br />Is it possible to overcome this issue?<br /><br /><br />Best regards,<br /><br />Antoine Jay<br />LAAS CNRS, Toulouse France<br /><br /><br />The input file:<br /><br /> &system<br /> ibrav = 4,<br /> celldm(1) = 6.09308327<br /> celldm(3) = 1.62987734<br /> nat = 4,<br /> ntyp = 2,<br /> ecutwfc = 50.0,<br /> nbnd = 25<br /> input_DFT = 'HSE'<br /> exx_fraction = 0.33<br /> /<br /> &electrons<br /> conv_thr = 1.0d-10<br /> /<br />ATOMIC_SPECIES<br />N 14.0067 N.pbe-n-kjpaw_psl.1.0.0.UPF !faster with NC<br />Ga 69.723 Ga.pbe-dn-kjpaw_psl.1.0.0.UPF !faster with NC<br />ATOMIC_POSITIONS (crystal)<br />Ga 0.0000000000 0.0000000000 0.0000000000 <br />Ga 0.6666666667 0.3333333333 0.5000000000 <br />N 0.0000000000 0.0000000000 0.3762844446 <br />N 0.6666666667 0.3333333333 0.8762844446 <br />K_POINTS<br />21 <br />0.0000000 0.0000000 0.0000000 0.0266667 ! corresponds to 553000<br />0.0000000 0.0000000 0.2045144 0.0533333<br />0.0000000 0.2309401 0.0000000 0.1600000<br />0.0000000 0.2309401 0.2045144 0.3200000<br />0.0000000 0.4618802 0.0000000 0.1600000<br />0.0000000 0.4618802 0.2045144 0.3200000<br />0.2000000 0.3464102 0.0000000 0.1600000<br />0.2000000 0.3464102 0.2045144 0.3200000<br />0.2000000 0.5773503 0.0000000 0.1600000<br />0.2000000 0.5773503 0.2045144 0.3200000<br />0.0000000 0.0000000 0.3067716 0.0 ! What I want to plot<br />0.0500000 0.0288675 0.3067716 0.0<br />0.1000000 0.0577350 0.3067716 0.0<br />0.1500000 0.0866025 0.3067716 0.0<br />0.2000000 0.1154701 0.3067716 0.0<br />0.2500000 0.1443376 0.3067716 0.0<br />0.3000000 0.1732051 0.3067716 0.0<br />0.3500000 0.2020726 0.3067716 0.0<br />0.4000000 0.2309401 0.3067716 0.0<br />0.4500000 0.2598076 0.3067716 0.0<br />0.5000000 0.2886751 0.3067716 0.0</html>