<div>Hi.</div>
<div> I am trying to generate pseudopotential with ld1.x code . There is a crash problem occured when i modifid a inputfile provided by</div>
<div>QE package, The CRASH information is below:</div>
<div>" </div>
<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 136949292<br> from ld1_readin : error # 1<br> US requires at least two energies per channel<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br>"</div>
<div>I really donot understand the physics revealed by this information, would you please tell me more ? the modified input file is following:</div>
<div> </div>
<div>&input<br> title='Pt',<br> zed=78.0,<br> rel=2,<br> iswitch=3,<br> rlderiv=2.50,<br> eminld=-4.0,<br> emaxld=4.0,<br> deld=0.02,<br> nld=5,<br> config='[Xe] 4f14. 5d8 6s2 6p0',
<br> dft='LDA'<br>/<br>&inputp<br> pseudotype=3,<br> lloc=0,<br> file_pseudopw='Ptrel.RRKJ3',<br> nlcc=.true.,<br> rcore=1.2,<br> rcloc=2.5<br>/<br>7<br>5D 3 2
4.00 0.00 2.20 2.40 1.50<br>5D 3 2 0.00 -0.20 2.20 2.40 1.50<br>5D 3 2 4.00 0.00 2.20 2.40 2.50<br>5D 3 2 0.00 -0.20 2.20 2.40 2.50<br>6P 2 1 0.00 -0.00 3.30 3.60 0.50<br>6P 2 1 0.00 -0.00
3.40 3.60 1.50<br>6S 1 0 2.00 0.00 2.80 2.80 0.50<br> </div>
<div><br clear="all"> </div>
<div>Regards,</div>
<div> </div>
<div>Hai Ping<br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871 </div>