./iterations/neb0_image02_iter57_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.367956712855E+03 0.36796E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.463029534302E+01 -0.36333E+03 -0.34854E+03 834 0.195E+02
DAV: 3 -0.956871731684E+02 -0.10032E+03 -0.99982E+02 688 0.116E+02
DAV: 4 -0.100163745759E+03 -0.44766E+01 -0.44663E+01 696 0.279E+01
DAV: 5 -0.100250838593E+03 -0.87093E-01 -0.87050E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916477894815E+02 0.86030E+01 -0.30988E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908243082920E+02 0.82348E+00 -0.18210E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904358981934E+02 0.38841E+00 -0.56310E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903455762882E+02 0.90322E-01 -0.13987E-01 712 0.166E+00 0.435E-01
DAV: 10 -0.903389574085E+02 0.66189E-02 -0.45623E-02 720 0.126E+00 0.318E-01
DAV: 11 -0.903426827634E+02 -0.37254E-02 -0.72655E-03 608 0.475E-01 0.149E-01
DAV: 12 -0.903459933834E+02 -0.33106E-02 -0.65050E-03 629 0.455E-01 0.124E-01
DAV: 13 -0.903488743330E+02 -0.28809E-02 -0.11182E-03 784 0.299E-01 0.810E-02
DAV: 14 -0.903519887126E+02 -0.31144E-02 -0.17718E-03 637 0.205E-01 0.611E-02
DAV: 15 -0.903545026504E+02 -0.25139E-02 -0.59662E-04 765 0.168E-01 0.392E-02
DAV: 16 -0.903555088863E+02 -0.10062E-02 -0.40448E-04 672 0.105E-01 0.335E-02
DAV: 17 -0.903564961799E+02 -0.98729E-03 -0.16280E-04 649 0.769E-02 0.210E-02
DAV: 18 -0.903567308009E+02 -0.23462E-03 -0.84174E-05 680 0.500E-02 0.124E-02
DAV: 19 -0.903569479720E+02 -0.21717E-03 -0.26771E-05 503 0.324E-02 0.378E-03
DAV: 20 -0.903570142819E+02 -0.66310E-04 -0.97028E-06 469 0.152E-02 0.332E-03
DAV: 21 -0.903570504965E+02 -0.36215E-04 -0.74472E-06 437 0.183E-02 0.570E-03
DAV: 22 -0.903570664822E+02 -0.15986E-04 -0.37466E-06 450 0.114E-02 0.463E-03
DAV: 23 -0.903570683508E+02 -0.18686E-05 -0.23927E-06 488 0.102E-02
1 F= -.90357068E+02 E0= -.90362508E+02 d E =0.163200E-01