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Dear All,
I did GW calculation for VO2. I adjusted all related parameters mentioned in Manual for GW calculation but always get obviously wrong result.For example, following,DFT-energies is completely different with the Ground state calculation. What is the problem? Any idea will be appreciated!
Part of ERRORS:
k-point 9 : 0.3333 0.3333 0.4000
band No. DFT-energies QP-energies sigma(DFT) V_xc(DFT) V^pw_x(r,r') Z occupation

1 234.8552 161.6236 -18.3125 91.2673 -24.8499 0.6683 2.0000
2 240.4193 210.8788 -5.9735 29.9525 -7.2630 0.8223 2.0000
3 237.9185 201.1291 -5.0211 39.6456 -6.2577 0.8236 2.0000
4 238.7906 214.4184 -4.4271 24.6564 -5.5239 0.8380 2.0000
5 239.7484 215.1839 -4.4367 24.8329 -5.3704 0.8393 2.0000
6 238.8348 207.4899 -4.3699 33.3188 -5.3024 0.8317 2.0000
7 236.1314 222.4622 -3.6905 12.1413 -4.8614 0.8634 2.0000
8 241.2019 212.6263 -4.5013 29.5045 -5.2861 0.8403 2.0000
9 239.2828 212.5811 -4.0772 27.5336 -5.0742 0.8447 2.0000
10 240.0951 211.6230 -4.2546 29.7030 -5.1323 0.8385 2.0000
11 243.7783 215.1188 -4.3004 28.0570 -5.0163 0.8857 2.0000

Thanks for looking!

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