<div dir="ltr"><div dir="ltr">Hi, Stephen,<div><br></div><div>Since you didn't show any input and output details, it's not very clear for me to understand what your issues are.</div><div>But here are some comments that may be helpful to you.</div><div><br></div><div>1) For the usage of bands.x, you can take a look at <a href="http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_BANDS.html#idm140066863768848" target="_blank">http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_BANDS.html#idm140066863768848</a><br></div><div>As seen from this document we can find that "spin_component" must be specified to generate the respective data of spin-up and spin-down bands. If it's omitted in the input file, the spin-up data will be generated by default. Rember to use the different file names for the spin up and spin down bands.</div><div><br></div><div>2) The bands.x has not been tested for the case with constrained magnetism even in the latest version of Quantum Espresso v6.5. However, if you know what you are doing, I think you can comment out the following lines in the /PP/src/bands.f90:</div><div> IF (two_fermi_energies.or.i_cons /= 0) &<br> CALL errore('bands',&<br> 'The bands code with constrained magnetization has not been tested',1)<br></div><div>Then, you can recompile the PP module (or recompile all the whole QE package). But use it with care at your own risk. I've never used it before. </div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Stephen Zhang <<a href="mailto:lolzen@berkeley.edu" target="_blank">lolzen@berkeley.edu</a>> 于2020年7月13日周一 上午9:19写道:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Hi everyone,<div dir="auto"><br></div><div dir="auto">Does anyone know how to plot separate spin up and spin down bands after doing a bands calculation for pw.x? After running bands.x I get the error </div><div dir="auto"><br></div><div dir="auto">The bands code with constrained magnetism has not been tested</div><div dir="auto"><br></div><div dir="auto">Does anyone know any work around?</div><div dir="auto"><br></div><div dir="auto">Thanks </div></div>
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