[Wien] semicore band ranges too large error: for MoSi2N4

[hajar.nejatipoor at yahoo.com]

Dear Wien2k developers and usersI want to converge RKmax for the monolayer MoSi2N4.For Rkm=6, the scf is converged without problem, but when running the scf with Rkm=7, the error "'LAPW2' - semicore band-ranges too large, ghostbands" appears. I tried with changing muffin tin radii, but the problem remained.  I appreciate for any help.
MoSi2N4 structure is:MoSi2N4H   LATTICE,NONEQUIV.ATOMS:  4 187_P-6m2MODE OF CALC=RELA unit=bohr  5.502431  5.502431 38.534460 90.000000 90.000000120.000000ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000          MULT= 1          ISPLIT= 4Mo1        NPT=  781  R0=0.00001000 RMT=    2.2000   Z: 42.000LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000                     0.0000000 1.0000000 0.0000000                     0.0000000 0.0000000 1.0000000ATOM  -2: X=0.66666666 Y=0.33333334 Z=0.14710600          MULT= 2          ISPLIT= 4      -2: X=0.66666668 Y=0.33333334 Z=0.85289400Si1        NPT=  781  R0=0.00010000 RMT=    2.1000   Z: 14.000LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000                     0.0000000 1.0000000 0.0000000                     0.0000000 0.0000000 1.0000000ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.82807700          MULT= 2          ISPLIT= 4      -3: X=0.33333334 Y=0.66666667 Z=0.17192300N 1        NPT=  781  R0=0.00010000 RMT=    1.2000   Z:  7.000LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000                     0.0000000 1.0000000 0.0000000                     0.0000000 0.0000000 1.0000000ATOM  -4: X=0.66666666 Y=0.33333334 Z=0.93855400          MULT= 2          ISPLIT= 4      -4: X=0.66666668 Y=0.33333334 Z=0.06144600N 2        NPT=  781  R0=0.00010000 RMT=    1.2000   Z:  7.000LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000                     0.0000000 1.0000000 0.0000000                     0.0000000 0.0000000 1.0000000-------------------------------------------------------------------------------------------case.in1c is:WFFIL  EF=.7144089124451760 Old .1144089124451760 1.5  (WFFIL, WFPRI, ENFIL, SUPWF)  7.00     10   4   ELPA pxq BL 64 (R-MT*K-MAX,MAX L IN WF,V-NMT,LIB)  0.30    5  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW) 0    0.30     0.0000 CONT 1 0   -4.62     0.0001 STOP 1 1    0.30     0.0000 CONT 1 1   -2.65     0.0010 CONT 1 2    0.30     0.0010 CONT 1  0.30    2  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW) 0    0.30     0.0000 CONT 1 1    0.30     0.0000 CONT 1  0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW) 0    0.30     0.0000 CONT 1 0   -1.07     0.0010 CONT 1 1    0.30     0.0000 CONT 1  0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW) 0    0.30     0.0000 CONT 1 0   -1.07     0.0010 CONT 1 1    0.30     0.0000 CONT 1
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