Hi QE user, i'm using QE 4.3 and i was trying to make a PP PAW to Ti, but a have the next error message in the output file<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     from new_paw_hamiltonian : error #         1<br>
     negative rho<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br><br>This is my input file Ti.in . What's my mistake??<br><br> &input<br>    title='Ti'<br>
      zed=22,<br>    config='[Ar] 4s2 3d2 4p0'<br>    iswitch=3,<br>    dft='PBE'<br>    nld=3,<br>        eminld=-10,<br>        emaxld=10<br>        deld=0.01d0,<br>        rlderiv=2.3,<br> /<br> &inputp<br>
   pseudotype=3,<br>   nlcc=.true.,<br>     new_core_ps = .true.<br>     rcore=1.2000<br>   lloc=-2,<br>     rcloc=2.2000<br>   file_pseudopw='Ti.pbe-paw_kj.UPF'<br>   zval=4<br>   lpaw=.true.<br>     lnc2paw=.false.<br>
     which_augfun ='BESSEL'<br>     rmatch_augfun= 2.3000<br>   author='"Arles V." <<a href="mailto:arlesv@fisica.unlp.edu.ar">arlesv@fisica.unlp.edu.ar</a>>'<br>   tm = .true.<br>!nX n  l   occ   nrg   rmin   rcut<br>
 /<br>6<br>3D  3 2 2.00    0.00    1.50    2.2000<br>3D  3 2 0.00   -0.40    1.50    2.2000<br>4S  1 0 2.00    0.00    1.50    2.2000<br>4S  1 0 0.00    0.30    1.50    2.2000<br>4P  2 1 0.00    0.00    1.50    2.2000<br>
4P  2 1 0.00    0.70    1.50    2.2000<br><br><br>Thank for advance.<br><br>PhD stdn. Arles V. Gil Rebaza<br>Instituto de Física de La Plata<br>Argentina<br>