[Wien] lapw0 error fora heavy compound

[samaneh javan]

Thanks for your suggestion, Mr. Laurence Marks.



I reduced Gmax according to your suggestion & I found the size of
case.outputd is reduced compare to

the my own calculation with Gmax=14. Now, I do not get the previous error
but after sometime  I got the lapw0 error with no explanation. This is my
case.in1 file:
WFFIL        (WFPRI, SUPWF)
  3.50       10    4 (R-MT*K-MAX; MAX L IN WF, V-NMT
  0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
 0   -0.78      0.010 CONT 1
 0    0.30      0.000 CONT 1
 1    0.30      0.000 CONT 1
  0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
 0   -0.78      0.010 CONT 1
 0    0.30      0.000 CONT 1
 1    0.30      0.000 CONT 1
  0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
 0   -0.78      0.010 CONT 1
 0    0.30      0.000 CONT 1
 1    0.30      0.000 CONT 1
K-VECTORS FROM UNIT:4   -7.0       1.5      emin/emax window


 case.in2 is as follows:



TOT             (TOT,FOR,QTL,EFG,FERMI)
      -9.0     240.0 0.50 0.05                EMIN, NE, ESEPERMIN, ESEPER0
TETRA    0.000          (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
  0 0  1 0  1 1 -1 1  2 0  2 1 -2 1  2 2 -2 2  3 0  3 1 -3 1  3 2 -3 2  3 3
-3 3  4 0  4 1 -4 1  4 2 -4 2  4 3 -4 3  4 4 -4 4  5 0  5 1 -5 1  5 2 -5 2
5 3 -5 3  5 4 -5 4  5 5 -5 5  6 0  6 1 -6 1  6 2 -6 2  6 3 -6 3  6 4 -6 4  6
5 -6 5  6 6 -6 6
  0 0  1 0  1 1 -1 1  2 0  2 1 -2 1  2 2 -2 2  3 0  3 1 -3 1  3 2 -3 2  3 3
-3 3  4 0  4 1 -4 1  4 2 -4 2  4 3 -4 3  4 4 -4 4  5 0  5 1 -5 1  5 2 -5 2
5 3 -5 3  5 4 -5 4  5 5 -5 5  6 0  6 1 -6 1  6 2 -6 2  6 3 -6 3  6 4 -6 4  6
5 -6 5  6 6 -6 6
  0 0  1 1 -1 1  2 0  2 2 -2 2  3 1 -3 1  3 3 -3 3  4 0  4 2 -4 2  4 4 -4 4
5 1 -5 1  5 3 -5 3  5 5 -5 5  6 0  6 2 -6 2  6 4 -6 4  6 6 -6 6
 14.          GMAX
NOFILE        FILE/NOFILE  write recprlist



My klist file:


       1    0    0    0    1  1.0 -7.0  1.5         1 k, div: (  1  1  1)
END


I have used -6.0 for separation energy & I have no leakage .My RMT size is
2.48.

Would you please give me more information about fft size that Dear
Laurence Marks mentioned?
Where I should use these sizes? Would you please also explain about X dstart
-fft, if that is related to my problem?
Thanks in advance
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