./iterations/neb0_image07_iter145_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 0.372366280810E+03 0.37237E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.379517343423E+01 -0.36857E+03 -0.35627E+03 869 0.194E+02
DAV: 3 -0.964815546276E+02 -0.10028E+03 -0.99954E+02 688 0.116E+02
DAV: 4 -0.101050759553E+03 -0.45692E+01 -0.45557E+01 704 0.280E+01
DAV: 5 -0.101143021564E+03 -0.92262E-01 -0.92210E-01 728 0.357E+00 0.227E+01
DAV: 6 -0.925266804279E+02 0.86163E+01 -0.30607E+01 712 0.299E+01 0.119E+01
DAV: 7 -0.916647271715E+02 0.86195E+00 -0.16992E+00 712 0.615E+00 0.480E+00
DAV: 8 -0.912885428947E+02 0.37618E+00 -0.54473E-01 720 0.399E+00 0.162E+00
DAV: 9 -0.912066146404E+02 0.81928E-01 -0.12760E-01 720 0.155E+00 0.425E-01
DAV: 10 -0.911975468078E+02 0.90678E-02 -0.41524E-02 733 0.106E+00 0.292E-01
DAV: 11 -0.912021671789E+02 -0.46204E-02 -0.12003E-02 608 0.572E-01 0.149E-01
DAV: 12 -0.912048197996E+02 -0.26526E-02 -0.23706E-03 626 0.240E-01 0.968E-02
DAV: 13 -0.912087179184E+02 -0.38981E-02 -0.16243E-03 631 0.203E-01 0.475E-02
DAV: 14 -0.912115240971E+02 -0.28062E-02 -0.51361E-04 752 0.161E-01 0.314E-02
DAV: 15 -0.912135828086E+02 -0.20587E-02 -0.33330E-04 656 0.953E-02 0.321E-02
DAV: 16 -0.912147998982E+02 -0.12171E-02 -0.17420E-04 680 0.653E-02 0.840E-03
DAV: 17 -0.912154686350E+02 -0.66874E-03 -0.64240E-05 616 0.335E-02 0.105E-02
DAV: 18 -0.912157218029E+02 -0.25317E-03 -0.25910E-05 560 0.270E-02 0.489E-03
DAV: 19 -0.912157962340E+02 -0.74431E-04 -0.14264E-05 488 0.198E-02 0.525E-03
DAV: 20 -0.912158066834E+02 -0.10449E-04 -0.26692E-06 496 0.125E-02 0.325E-03
DAV: 21 -0.912158167953E+02 -0.10112E-04 -0.35789E-06 415 0.112E-02 0.191E-03
DAV: 22 -0.912158245542E+02 -0.77590E-05 -0.13362E-06 434 0.587E-03
1 F= -.91215825E+02 E0= -.91220303E+02 d E =0.134366E-01