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<div>Dear QE users, </div>
<div>I want to generate PBE pseudopotential for Cr using rrkj method. The input is as follows. However, the generated s, p wave functions have a node.</div>
<div>Could someone give me suggestions how to modify the input to get reasonable wave functions? </div>
<div>Best regards,</div>
<div>Sai </div>
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<div><font color="#0000ff"> &input</font></div>
<div><font color="#0000ff"> title='Cr',</font></div>
<div><font color="#0000ff"> zed=24.,</font></div>
<div><font color="#0000ff"> rel=1,</font></div>
<div><font color="#0000ff"> config='[Ar] 4s1.0 3d5.0 4p0',</font></div>
<div><font color="#0000ff"> iswitch=3,</font></div>
<div><font color="#0000ff"> dft='PBE'</font></div>
<div><font color="#0000ff"> /</font></div>
<div><font color="#0000ff"> &inputp</font></div>
<div><font color="#0000ff"> pseudotype=3,</font></div>
<div><font color="#0000ff"> file_pseudopw='Cr.pbe-rrkjus.UPF',</font></div>
<div><font color="#0000ff"> lloc=-1,</font></div>
<div><font color="#0000ff"> rcloc=1.8,</font></div>
<div><font color="#0000ff"> which_augfun='PSQ',</font></div>
<div><font color="#0000ff"> rmatch_augfun=0.68,</font></div>
<div><font color="#0000ff"> nlcc=.true.,</font></div>
<div><font color="#0000ff"> new_core_ps=.true.,</font></div>
<div><font color="#0000ff"> rcore=0.6,</font></div>
<div><font color="#0000ff"> tm=.true.</font></div>
<div><font color="#0000ff"> /</font></div>
<div><font color="#0000ff">6</font></div>
<div><font color="#0000ff">3S 1 0 0.00 2.00 1.10 1.30 0.0</font></div>
<div><font color="#0000ff">4S 2 0 1.00 0.00 0.80 1.40 0.0</font></div>
<div><font color="#0000ff">3P 2 1 0.00 6.00 1.00 1.30 0.0</font></div>
<div><font color="#0000ff">4P 3 1 0.00 0.00 1.00 1.60 0.0</font></div>
<div><font color="#0000ff">3D 3 2 5.00 0.00 1.40 2.00 0.0</font></div>
<div><font color="#0000ff">3D 3 2 0.00 -0.05 1.40 2.00 0.0</font></div>
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