ndtset 12 jdtset 1 2 40 41 42 43 44 45 46 47 48 49 acell 3*11.6726 rprim 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 natom 5 ntypat 3 typat 1 2 3 3 3 znucl 55 82 53 xred 0.000000000000000 0.000000000000000 0.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.000000000000000 0.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.000000000000000 0.500000000000000 ecut 100 Ry ngkpt 4 4 4 nshiftk 1 shiftk 0. 0. 0. istwfk *1 autoparal 1 iscf1 7 occopt1 1 diemac1 9 getwfk1 0 diemix1 0.8 toldfe1 1.0d-8 Ry nband1 53 iscf2 -2 getden2 1 nband2 812 tolwfr2 1.0d-15 nbdbuf2 12 nstep2 100 getwfk2 0 # common ppmodel 0 nfreqre 8 nfreqim 4 nband 800 ecuteps 16 Ry ecutwfn 100 Ry ecutsigx 100 Ry rhoqpmix 0.2 awtr 1 gwmem 00 symchi 1 gwpara 2 inclvkb 2 ## gwcalctyp 29 icutcoul 7 gwgamma -4 nkptgw 10 kptgw 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.50000000E-01 0.00000000E+00 0.00000000E+00 5.00000000E-01 0.00000000E+00 0.00000000E+00 2.50000000E-01 2.50000000E-01 0.00000000E+00 5.00000000E-01 2.50000000E-01 0.00000000E+00 5.00000000E-01 5.00000000E-01 0.00000000E+00 2.50000000E-01 2.50000000E-01 2.50000000E-01 5.00000000E-01 2.50000000E-01 2.50000000E-01 5.00000000E-01 5.00000000E-01 2.50000000E-01 5.00000000E-01 5.00000000E-01 5.00000000E-01 bdgw 1 80 1 80 1 80 1 80 1 80 1 80 1 80 1 80 1 80 1 80 getwfk 2 optdriver40 3 optdriver41 4 getqps41 0 getscr41 40 optdriver42 3 getqps42 41 optdriver43 4 getqps43 41 getscr43 42 optdriver44 3 getqps44 43 optdriver45 4 getqps45 43 getscr45 44 optdriver46 3 getqps46 45 optdriver47 4 getqps47 45 getscr47 46 optdriver48 3 getqps48 47 optdriver49 4 getqps49 47 getscr49 48