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<!--SOHUMAIL_HTML_HEAD_END-->Dear Wien users and developers!<p>I want to calculate and plot the<p>DOS at ambient and high pressure of my case，which is fcc structure.<p><p>I am running the scf cycle with runsp_lapw (no extra<p>switches). XC-potential: 'GGA of Perdew-Burke-Ernzerhof 96'<p> size of k-mesh: 1000 k-points.<p><p>I can initialize my case and run it to self-consistency without getting<p>any warnings or error messages. I have succeeded in plotting the DOS at ambient pressure. When I decrease the lattice constant (increasing the pressure) a bit, everything is 0k. But when I continue to decrease the lattice constant, the DOS is zero everywhere and the top energy is -8.0eV, which is far away from the Fermi energy. I have tried to increase the Emax in case.in1, which does not work out. I wonder why?<p><p>Thanks for your replies!<p><p>Any suggestions are welcome! Please let me know if you need more<p>information from me to understand this problem.<p>Best regards,<p>Jingy!
un Zhang <p><hr size=1><style type="text/css">
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