./iterations/neb0_image08_iter38_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 0.376484402270E+03 0.37648E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.374962986789E+01 -0.37273E+03 -0.35888E+03 869 0.196E+02
DAV: 3 -0.967104141829E+02 -0.10046E+03 -0.10013E+03 680 0.117E+02
DAV: 4 -0.101090152911E+03 -0.43797E+01 -0.43694E+01 704 0.279E+01
DAV: 5 -0.101174865377E+03 -0.84712E-01 -0.84677E-01 728 0.351E+00 0.228E+01
DAV: 6 -0.925136178654E+02 0.86612E+01 -0.30725E+01 690 0.303E+01 0.120E+01
DAV: 7 -0.916379892944E+02 0.87563E+00 -0.17103E+00 728 0.618E+00 0.481E+00
DAV: 8 -0.912598779291E+02 0.37811E+00 -0.55272E-01 704 0.402E+00 0.165E+00
DAV: 9 -0.911752251850E+02 0.84653E-01 -0.13205E-01 712 0.159E+00 0.431E-01
DAV: 10 -0.911656950019E+02 0.95302E-02 -0.42843E-02 760 0.107E+00 0.299E-01
DAV: 11 -0.911703050770E+02 -0.46101E-02 -0.13312E-02 608 0.611E-01 0.159E-01
DAV: 12 -0.911726490717E+02 -0.23440E-02 -0.22574E-03 634 0.254E-01 0.987E-02
DAV: 13 -0.911769403653E+02 -0.42913E-02 -0.23370E-03 639 0.244E-01 0.563E-02
DAV: 14 -0.911791404097E+02 -0.22000E-02 -0.55735E-04 736 0.180E-01 0.387E-02
DAV: 15 -0.911819846655E+02 -0.28443E-02 -0.61863E-04 628 0.119E-01 0.353E-02
DAV: 16 -0.911827843317E+02 -0.79967E-03 -0.10138E-04 688 0.673E-02 0.143E-02
DAV: 17 -0.911837129863E+02 -0.92865E-03 -0.19159E-04 625 0.732E-02 0.182E-02
DAV: 18 -0.911839286733E+02 -0.21569E-03 -0.18899E-05 512 0.358E-02 0.124E-02
DAV: 19 -0.911840512624E+02 -0.12259E-03 -0.50859E-05 628 0.384E-02 0.623E-03
DAV: 20 -0.911840805206E+02 -0.29258E-04 -0.50115E-06 504 0.214E-02 0.181E-03
DAV: 21 -0.911841122275E+02 -0.31707E-04 -0.37328E-06 398 0.920E-03 0.144E-03
DAV: 22 -0.911841246635E+02 -0.12436E-04 -0.16760E-06 463 0.458E-03 0.127E-03
DAV: 23 -0.911841266116E+02 -0.19480E-05 -0.46687E-07 488 0.311E-03
1 F= -.91184127E+02 E0= -.91188913E+02 d E =0.143602E-01