<div dir="ltr"><div><span style="font-family:monospace">[Quantum Espresso - 6.6]<br><br></span></div><span style="font-family:monospace">I am using pp.x with plot_num=7 . In the input description for kpoint parameter it says, <br></span><pre style="margin-bottom: -1em;">LSDA:
k-point(s) and spin polarization to be plotted
(spin-up and spin-down correspond to different k-points!)
<br><br></pre><pre style="margin-bottom: -1em;">I'm confused about this, In my output file for scf calculation, I can see my kpoints as:<br><br> number of k points= 21 Gaussian smearing, width (Ry)= 0.0100<br> cart. coord. in units 2pi/alat<br> k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0476190<br> k( 2) = ( 0.0250000 0.0144338 0.0000000), wk = 0.0476190<br> k( 3) = ( 0.0500000 0.0288675 0.0000000), wk = 0.0476190<br> k( 4) = ( 0.0750000 0.0433013 0.0000000), wk = 0.0476190<br> k( 5) = ( 0.1000000 0.0577350 0.0000000), wk = 0.0476190<br> k( 6) = ( 0.1250000 0.0721688 0.0000000), wk = 0.0476190<br> k( 7) = ( 0.1500000 0.0866025 0.0000000), wk = 0.0476190<br> k( 8) = ( 0.1750000 0.1010363 0.0000000), wk = 0.0476190<br> k( 9) = ( 0.2000000 0.1154701 0.0000000), wk = 0.0476190<br> k( 10) = ( 0.2250000 0.1299038 0.0000000), wk = 0.0476190<br> k( 11) = ( 0.2500000 0.1443376 0.0000000), wk = 0.0476190<br> k( 12) = ( 0.2750000 0.1587713 0.0000000), wk = 0.0476190<br> k( 13) = ( 0.3000000 0.1732051 0.0000000), wk = 0.0476190<br> k( 14) = ( 0.3250000 0.1876388 0.0000000), wk = 0.0476190<br> k( 15) = ( 0.3500000 0.2020726 0.0000000), wk = 0.0476190<br> k( 16) = ( 0.3750000 0.2165064 0.0000000), wk = 0.0476190<br> k( 17) = ( 0.4000000 0.2309401 0.0000000), wk = 0.0476190<br> k( 18) = ( 0.4250000 0.2453739 0.0000000), wk = 0.0476190<br> k( 19) = ( 0.4500000 0.2598076 0.0000000), wk = 0.0476190<br> k( 20) = ( 0.4750000 0.2742414 0.0000000), wk = 0.0476190<br> k( 21) = ( 0.5000000 0.2886751 0.0000000), wk = 0.0476190<br><br></pre><pre style="margin-bottom: -1em;">So, If I want to plot spin-down component of say k( 9) = ( 0.2000000 0.1154701 0.0000000), do I use Kpoint=30 in my pp.x input file? I would be really grateful if you could clear my confusion.<br><br></pre><pre style="margin-bottom: -1em;">Thanks<br></pre><pre style="margin-bottom: -1em;">Khondker Shihabul Hoque<br></pre><pre style="margin-bottom: -1em;">Undergraduate Student, Department of EEE, Bangladesh University of Engineering and Technology(BUET).<br></pre></div>