Dear all<br>
I tried to generate Ti norm conserving semi-core pseudopotential using PBE functional. <br>
The 3s 3p orbitals are supposed to include.<br>
But there is error showing " from ld1_readin : error # 1<br>
Two wavefunctions for the same l"<br>
I checked the examples in the atomic_doc and did not find this kind
input. so does there anyone know how to solve the problem. Thank you
very much.<br>
The input file is<br>
" &input<br>
iswitch=3,<br>
<br>
rlderiv=1.5,<br>
eminld=-8.0,<br>
emaxld=5.0,<br>
deld=0.01d0,<br>
nld=3,<br>
<br>
rel=1,<br>
zed=22.0,<br>
config="[Ne] 3s2 3p6 3d2 4s2 4p-1"<br>
dft='PBE',<br>
/<br>
<br>