[Wien] mbj and SO conflict?

[bruce.tian]

Dear Prof. Blaha;

Thanks for your reply!

The email include two parts;
1. Calculate mbj first then add the SO. lapw0 generate the *.grr. I
attached the final part of the *.output0-grr file in which there are a lot
of * in the email. Please check it.


         PLANE WAVE CONTRIBUTION

            TOTAL=  *************


   2. CONSTANT TERMS     (H)

         SPHERE  1   Ni1         =   -14.458122
         SPHERE  2   Ni2         =   -14.458123
         SPHERE  3   O           =    -2.032486

--------------------------------------------------------------------------------

   TOTAL VALUE =**************     (H)
:GRR  : <AVERAGE GRAD RHO / RHO>  = **********************
       ELS_POTENTIAL_AT Z=0 and Z=0.5:   0.03323   0.03323
       ELS_POTENTIAL_AT Y=0 and Y=0.5:   0.00000   0.00000
:VZERO:v0,v0c,v0x**********   0.03323********** v5,v5c,v5x**********
0.03323**********
:VZERY:v0,v0c,v0x**********   0.00000********** v5,v5c,v5x**********
0.00000**********
:VZERX:v0,v0c,v0x**********   0.07609********** v5,v5c,v5x**********
0.07609**********

Thanks!
Calculating SO first is not a good selection. At the step 'runsp_lapw -NI
-i 1' one will get the error 'the energy is not converged'.

best regards
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