<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">Dear PWscf users,</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><br></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">I am trying to generate an ionized PP for Cs, and the input file is like below:</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">##############################<wbr></wbr>#####################</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><div> &input</div><div> iswitch=3,</div><div><br></div><div> rlderiv=1.8,</div><div> eminld=-8.0,</div><div> emaxld=1.0,</div><div> deld=0.01d0,</div><div> nld=5,</div><div><br></div><div> rel=1,</div><div> zed=55.0,</div><div> config="[Kr] 4d10 5s2 5p6 6s0 5d0"</div><div> dft='PBE',</div><div> /</div><div> &inputp</div><div> tm=.true.</div><div> lloc=2,</div><div> nlcc=.true.</div><div> pseudotype=1,</div><div> file_pseudopw='Cs.pbe-mt_<wbr></wbr>scalar.UPF',</div><div> /</div><div>3</div><div>5P 5 1 6.00 0.00 1.90 1.90</div><div>6S 6 0 0.00 0.00 4.20 4.20</div><div>5D 5 2 0.00 0.00 3.81 3.81</div></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">##############################<wbr></wbr>#####################</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><br></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">However, it always ran into such an error:</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr></wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr></wbr>%%%%%%%%%%%%%%%%%%%</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"> Error in routine run_pseudo (1):</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"> Errors in PS-KS equation</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr></wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr></wbr>%%%%%%%%%%%%%%%%%%%</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><br></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">I tried using different channel, but it did not work.</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><br></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">Could anyone help?</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;"><br></div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">Best regards</div><div style="color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: 12.8px;">Zhishuo Huang</div></div><br><br><span title="neteasefooter"><p> </p></span>