[Wien] 'SELECT' - no energy limits found for atom 2 L= 1

[chin Sabsu]

Dear Peter Sir and any Expert in the form,
Before writing this error I have searched the forum and FAQ and really do not find a way to overcome the issue. On FAQ you have written a nice explanation but I failed to understand it. The most efficient method I found in the past reduction of rmt but now it is also not solving my error. I also used -in1new 2 option with "run_lapw ... -min" command. Itried to change all 0.30 in case.in1 by 0.80 but it was not helpful,


The error is coming for Cubic perovskite when I optimize the structure with "run_lapw ....-min" option (while with min_lapw I am not getting any error).
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
**  Error in Parallel LAPW1
**  LAPW1 STOPPED at Mon Jan 29 01:28:36 IST 2018
**  check ERROR FILES!
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000                             
 'SELECT' - no energy limits found for atom   2  L= 1                          
 'SELECT' - E-bottom -200.00000   E-top -200.00000  


As the error comes from lapw1 so below is scf1 data;
cat *.scf1 gives
:LMAX-WF:   10   Non-Spherical LMAX:   4

          ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM  Cs        
:e__0001: OVERALL ENERGY PARAMETER IS    0.3000
          OVERALL BASIS SET ON ATOM IS LAPW
:E2_0001: E( 2)=    0.3000
             APW+lo
:E2_0001: E( 2)=   -2.6539   E(BOTTOM)=   -3.027   E(TOP)=   -2.281  1  2   340
             LOCAL ORBITAL
:E0_0001: E( 0)=    0.7000
             APW+lo
:E0_0001: E( 0)=   -2.3380   E(BOTTOM)=   -3.764   E(TOP)=   -0.912  4  5   248
             LOCAL ORBITAL
:E1_0001: E( 1)=    0.7000
             APW+lo
:E1_0001: E( 1)=   -1.3099   E(BOTTOM)=   -3.057   E(TOP)=    0.437  3  4   276
             LOCAL ORBITAL

          ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM  Sn        
:e__0002: OVERALL ENERGY PARAMETER IS    0.3000
          OVERALL BASIS SET ON ATOM IS LAPW
:E1_0002: E( 1)=    0.3000
             APW+lo


Below id mu case.in1

WFFIL  EF= 0.50000       (WFFIL, WFPRI, ENFIL, SUPWF)
  7.00       10    4 (R-MT*K-MAX; MAX L IN WF, V-NMT
  0.30    6  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)
 2    0.30     0.0000 CONT 1
 2   -5.07     0.0001 STOP 1
 0    0.30     0.0000 CONT 1
 0   -1.66     0.0010 CONT 1
 1    0.30     0.0000 CONT 1
 1   -0.66     0.0010 CONT 1
  0.30    5  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)
 1    0.30     0.0000 CONT 1
 1   -6.09     0.0001 STOP 1
 2    0.30     0.0000 CONT 1
 2   -1.55     0.0010 CONT 1
 0    0.30     0.0000 CONT 1
  0.30    5  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)
 2    0.30     0.0000 CONT 1
 2   -3.33     0.0001 STOP 1
 0    0.30     0.0000 CONT 1
 0   -1.00     0.0010 CONT 1
 1    0.30     0.0000 CONT 1
K-VECTORS FROM UNIT:4  -12.2       1.5   162   red   emin/emax/nband



Please let me know what additional information I can provide.

Thanks and regards
Chin S.



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