[Wien] sgroup problem

[Bing Zhou]

Dear All,

During my init_lapw process for my crystal pyrophyllite, nothing came out
from "x sgroup", i.e., the case.outputsgroup is empty!

What is the possible reason? could you please take a look of the attached
case.strut file and let me know how to fix it?

Thank you in advance!

Best wishes!





Bing Zhou
Dept. of Geol. Sc.
The Univ. of Manitoba
Canada R3T 2N2
Tel: (204)474-8395
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Pyrophyllite structure from Bridgeman et al., 1996                             
P                           10
             RELA
  9.753636 16.927417 17.671025 91.030000100.370000 89.750000
      -1    0.32900000   0.33500000   0.00000000
                8                  8
      -1    0.67100000   0.66500000   0.00000000
      -1    0.82900000   0.83500000   0.00000000
      -1    0.17100000   0.16500000   0.00000000
      -1    0.67100000   0.66500000   0.00000000
      -1    0.32900000   0.33500000   0.00000000
      -1    0.17100000   0.16500000   0.00000000
      -1    0.82900000   0.83500000   0.00000000
Al         NPT=  781  R0=0.00010000 RMT=    1.6000   Z: 13.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -2    0.75000000   0.99700000   0.29000000
                4                  8
      -2    0.25000000   0.00300000   0.71000000
      -2    0.25000000   0.49700000   0.29000000
      -2    0.75000000   0.50300000   0.71000000
Si         NPT=  781  R0=0.00010000 RMT=    1.6000   Z: 14.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -3    0.43600000   0.65500000   0.29100000
                4                  8
      -3    0.56400000   0.34500000   0.70900000
      -3    0.93600000   0.15500000   0.29100000
      -3    0.06400000   0.84500000   0.70900000
Si         NPT=  781  R0=0.00010000 RMT=    1.6000   Z: 14.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -4    0.52100000   0.32900000   0.35400000
                4                  8
      -4    0.47900000   0.67100000   0.64600000
      -4    0.02100000   0.82900000   0.35400000
      -4    0.97900000   0.17100000   0.64600000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -5    0.10300000   0.93100000   0.32300000
                4                  8
      -5    0.89700000   0.06900000   0.67700000
      -5    0.60300000   0.43100000   0.32300000
      -5    0.39700000   0.56900000   0.67700000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -6    0.70800000   0.73600000   0.35300000
                4                  8
      -6    0.29200000   0.26400000   0.64700000
      -6    0.20800000   0.23600000   0.35300000
      -6    0.79200000   0.76400000   0.64700000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -7    0.03200000   0.36800000   0.10000000
                4                  8
      -7    0.96800000   0.63200000   0.90000000
      -7    0.53200000   0.86800000   0.10000000
      -7    0.46800000   0.13200000   0.90000000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -8    0.65600000   0.00400000   0.11300000
                4                  8
      -8    0.34400000   0.99600000   0.88700000
      -8    0.15600000   0.50400000   0.11300000
      -8    0.84400000   0.49600000   0.88700000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -9    0.41700000   0.62300000   0.11400000
                4                  8
      -9    0.58300000   0.37700000   0.88600000
      -9    0.91700000   0.12300000   0.11400000
      -9    0.08300000   0.87700000   0.88600000
O          NPT=  781  R0=0.00010000 RMT=    1.0000   Z:  8.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
     -10    0.04500000   0.19400000   0.14000000
                4                  8
     -10    0.95500000   0.80600000   0.86000000
     -10    0.54500000   0.69400000   0.14000000
     -10    0.45500000   0.30600000   0.86000000
H          NPT=  781  R0=0.00010000 RMT=    0.7000   Z:  1.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
 0