./iterations/neb0_image03_iter135_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 0.366292052730E+03 0.36629E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.248955003874E+01 -0.36380E+03 -0.35153E+03 853 0.195E+02
DAV: 3 -0.957985769437E+02 -0.98288E+02 -0.97969E+02 672 0.116E+02
DAV: 4 -0.100206250317E+03 -0.44077E+01 -0.43982E+01 696 0.281E+01
DAV: 5 -0.100293956790E+03 -0.87706E-01 -0.87671E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.917011087495E+02 0.85928E+01 -0.30677E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908530118452E+02 0.84810E+00 -0.18242E+00 712 0.643E+00 0.483E+00
DAV: 8 -0.904502163761E+02 0.40280E+00 -0.57133E-01 704 0.441E+00 0.168E+00
DAV: 9 -0.903553789869E+02 0.94837E-01 -0.12687E-01 704 0.194E+00 0.473E-01
DAV: 10 -0.903463671893E+02 0.90118E-02 -0.37115E-02 712 0.950E-01 0.344E-01
DAV: 11 -0.903485166255E+02 -0.21494E-02 -0.88248E-03 741 0.684E-01 0.183E-01
DAV: 12 -0.903503026510E+02 -0.17860E-02 -0.35893E-03 621 0.409E-01 0.121E-01
DAV: 13 -0.903547661229E+02 -0.44635E-02 -0.35205E-03 615 0.303E-01 0.877E-02
DAV: 14 -0.903594924463E+02 -0.47263E-02 -0.11082E-03 647 0.165E-01 0.507E-02
DAV: 15 -0.903613877977E+02 -0.18954E-02 -0.34017E-04 824 0.118E-01 0.241E-02
DAV: 16 -0.903630078095E+02 -0.16200E-02 -0.12800E-04 661 0.577E-02 0.152E-02
DAV: 17 -0.903641832934E+02 -0.11755E-02 -0.10823E-04 672 0.386E-02 0.812E-03
DAV: 18 -0.903646412832E+02 -0.45799E-03 -0.50288E-05 608 0.253E-02 0.518E-03
DAV: 19 -0.903647670868E+02 -0.12580E-03 -0.90279E-06 472 0.138E-02 0.216E-03
DAV: 20 -0.903648337288E+02 -0.66642E-04 -0.10567E-05 455 0.112E-02 0.224E-03
DAV: 21 -0.903648463647E+02 -0.12636E-04 -0.21571E-06 504 0.838E-03 0.144E-03
DAV: 22 -0.903648519102E+02 -0.55455E-05 -0.15706E-06 415 0.715E-03
1 F= -.90364852E+02 E0= -.90373542E+02 d E =0.260702E-01