<div dir="ltr"><div><div><div><div><div><div><div><div>Dear QE users<br><br></div>This is
the first time I use the PAW pseudopotential. I have calculated the
system using the PAW pseudopotential, but the convergence is very hard
to achieve. I treat the system as insulator (according to the
experiment) and I have tried to vary the mixing beta value from 0.7
until 0.2 (the latest which I give with the difference is 0.1 gradually)
but the latest result become worst than the before.<br>
<br></div>The question is whats wrong with my input??<br></div>how about the value of ecutrho I have given??<br><br></div>What I must to do??<br><br></div>input and output file are attached<br><br></div>I hope your advice please..<br>
<br></div>Thank you<br><div><br></div>Best Regard....<br><br></div>Ganjar Kurniawan<br><div><div class=""><div id=":12y" class="" tabindex="0"><img class="" src="https://mail.google.com/mail/u/0/images/cleardot.gif"></div>
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