Dear all:<div><br></div><div> In my calculations(QE 5.0), the <b>"beta"</b> and <b>"diagonalization"</b> in <b>*.ph.out</b> of <b>ph.x</b> is different from the <b>*.scf.out</b> file of <b>pw.x</b>.</div>
<div><br></div><div> I set </div><div><i><b>"mixing_beta </b>=<b> 0.3</b></i></div><div><i><b>diagonalization </b>= <b>'cg' " </b></i></div><div>in scf calculation(pw.x). Then, I find the right parameters in *.scf.out file.</div>
<div><br></div><div> However, in the <b>*.ph.out</b> file, I find:</div>
<div><i><b>"beta = 0.7000</b></i></div><div><i><b>Davidson diagonalization with overlap" </b></i></div><div><div>in *.ph.out file.</div><div><br></div><div> How to set the "<b>mixing_beta </b>and<b> diagonalization</b>" parameters in <b>ph.x</b>?</div>
<div><br></div><div> Thanks in advance:)</div><div><br></div><div><br></div>-- <br>____________________________________<br>Hui Wang<br>School of physics, Fudan University, Shanghai, China
</div>