[Pw_forum] ld1.x problem

[Lazaro Calderin]

Hello 

ld1.x runs fine and yields the expected results in "generation and
testing" mode with the input file

 &input
        title='Bi',
        zed=83.0,
        rel=1,
        iswitch=3,
        rlderiv=3.50,
        eminld=-4.0,
        emaxld=4.0,
        deld=0.02,
        nld=2,
        config='[Xe] 4f14 5d10 6s2 6p3',
        dft='LDA',
        xmin=-7.0,
        dx=0.01250,
        rmax=155.0
 /
 &inputp
        pseudotype=2,
        tm=.true.,
        file_pseudopw='Bi-lda-cc-tm.UPF',
        nlcc=.true.,
        rcloc=1.80
 /
2
6S  1  0  2.00  0.00  1.8564  1.8564
6P  2  1  3.00  0.00  2.4441  2.4441


However, in testing mode only, the input file

    &input
      title='Bi',
      zed=83.0,
      rel=1,
      iswitch=2,
      config='[Xe] 4f14 5d10 6s2 6p3'
      dft='LDA',
    /
    &test
      nconf=1
      file_pseudo='Bi-lda-cc-tm.UPF',
      configts(1)= '4f14 5d10 6s2 6p3'
    /

generates the errors:

     from compute phi : info #        -1
     negative determinant

         3 ld=  -0.022630 f2ae  1.185728 faenor  0.377898
     Solution not found in ascheqps for n,l= 4 3
     Solution not found in ascheqps for n,l= 3 2
                        .
                        .
                        .

How come? What am I missing? Is this a bug?
The electronic configuration is the same in both input files.

Lazaro


-- 
=============================================================
Lazaro Calderin, Ph.D.                        
Dpt. of Theoretical, Atomic and Optical Physics        
Univ. of Valladolid, 47005 Valladolid. Spain 
Phone: +34 983 423891   Fax: +34 983 423013   
E-mails: calderin at fta.uva.es  or  calderin at physics.queensu.ca