Dear All
I have wien2k-11
I am runing the scf for GGA+SO the energy up file is :
198.36300198.70000200.25800 0.21800 0.21800 0.21800 0.21800 0.21800
0.21800 0.21800 0.21800 0.21800 0.21800 0.00000
-1.63700 -1.30000 0.25800999.00000 0.21800
0.21800997.00000999.00000999.00000999.00000999.00000999.00000
199.20000200.21800 0.21800 0.21800 0.21800 0.21800 0.21800 0.21800
0.21800 0.21800 0.21800 0.21800 0.21800 0.00000
-0.80000 0.21800999.00000999.00000
0.21800997.00000999.00000999.00000999.00000999.00000999.00000999.00000
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 560 37
1.0
1 -1.75799984898833
2 -0.779863436723827
:::::::
1.000000000000E+00 4.666666666667E-01-6.666666666667E-02 120 556 37
24.0
1 -1.74508111439988
2 -0.830632082928385
3 -0.821808682456082
37 2.48489146491448
but after calculed de band struct the energyup file become :
198.36300198.70000200.26069 0.22069 0.22069 0.22069 0.22069 0.22069
0.22069 0.22069 0.22069 0.22069 0.22069 0.00000
-1.63700 -1.30000 0.26069999.00000 0.22069
0.22069997.00000999.00000999.00000999.00000999.00000999.00000
199.20000200.22069 0.22069 0.22069 0.22069 0.22069 0.22069 0.22069
0.22069 0.22069 0.22069 0.22069 0.22069 0.00000
-0.80000 0.22069999.00000999.00000
0.22069997.00000999.00000999.00000999.00000999.00000999.00000999.00000
1.000000000000E+00 5.000000000000E-01 0.000000000000E+00W 547 37
2.0
1 -1.74501525207570
2 -0.826536967769850 :
:::::::::::::::::::::::::::::::::::
36 2.37493470033643
37 2.48068020938656
7.500000000000E-01 7.500000000000E-01 0.000000000000E+00K 565 37
2.0
1 -1.74529900701246
2 -0.845629999321874
3 -0.801455927461892
37 2.47302168436721
, so, what I do to recover this probleme
please help me
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