iterations/neb0_image04_iter72_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 0.370829114019E+03 0.37083E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.458059937552E+01 -0.36625E+03 -0.35352E+03 853 0.195E+02
DAV: 3 -0.953297905358E+02 -0.99910E+02 -0.99597E+02 682 0.117E+02
DAV: 4 -0.997414186602E+02 -0.44116E+01 -0.44001E+01 712 0.278E+01
DAV: 5 -0.998270294960E+02 -0.85611E-01 -0.85572E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.913524355857E+02 0.84746E+01 -0.29999E+01 671 0.294E+01 0.116E+01
DAV: 7 -0.905003629828E+02 0.85207E+00 -0.17232E+00 720 0.628E+00 0.479E+00
DAV: 8 -0.901003961937E+02 0.39997E+00 -0.56464E-01 712 0.430E+00 0.164E+00
DAV: 9 -0.900067973292E+02 0.93599E-01 -0.13463E-01 712 0.171E+00 0.435E-01
DAV: 10 -0.899974296089E+02 0.93677E-02 -0.56157E-02 741 0.132E+00 0.345E-01
DAV: 11 -0.900014319769E+02 -0.40024E-02 -0.12464E-02 626 0.629E-01 0.133E-01
DAV: 12 -0.900038165847E+02 -0.23846E-02 -0.39672E-03 639 0.280E-01 0.125E-01
DAV: 13 -0.900076911962E+02 -0.38746E-02 -0.16782E-03 845 0.322E-01 0.662E-02
DAV: 14 -0.900108783269E+02 -0.31871E-02 -0.10294E-03 650 0.151E-01 0.533E-02
DAV: 15 -0.900135409445E+02 -0.26626E-02 -0.39649E-04 717 0.112E-01 0.343E-02
DAV: 16 -0.900148295411E+02 -0.12886E-02 -0.39606E-04 688 0.103E-01 0.295E-02
DAV: 17 -0.900156890054E+02 -0.85946E-03 -0.19377E-04 812 0.885E-02 0.130E-02
DAV: 18 -0.900159267218E+02 -0.23772E-03 -0.33252E-05 616 0.340E-02 0.668E-03
DAV: 19 -0.900160740887E+02 -0.14737E-03 -0.27426E-05 494 0.229E-02 0.427E-03
DAV: 20 -0.900160970189E+02 -0.22930E-04 -0.20016E-06 520 0.963E-03 0.325E-03
DAV: 21 -0.900161249149E+02 -0.27896E-04 -0.49806E-06 395 0.103E-02 0.183E-03
DAV: 22 -0.900161283046E+02 -0.33898E-05 -0.78426E-07 488 0.522E-03
1 F= -.90016128E+02 E0= -.90020486E+02 d E =0.130733E-01