./iterations/neb0_image02_iter272_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 0.365421744552E+03 0.36542E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.141163782158E+01 -0.36401E+03 -0.35253E+03 861 0.195E+02
DAV: 3 -0.955442171742E+02 -0.96956E+02 -0.96624E+02 632 0.116E+02
DAV: 4 -0.100211724157E+03 -0.46675E+01 -0.46568E+01 720 0.298E+01
DAV: 5 -0.100304412489E+03 -0.92688E-01 -0.92657E-01 720 0.377E+00 0.222E+01
DAV: 6 -0.916599619151E+02 0.86445E+01 -0.30933E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908472597855E+02 0.81270E+00 -0.18086E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904705111482E+02 0.37675E+00 -0.54899E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903870287410E+02 0.83482E-01 -0.13100E-01 720 0.171E+00 0.425E-01
DAV: 10 -0.903829291344E+02 0.40996E-02 -0.44733E-02 712 0.116E+00 0.324E-01
DAV: 11 -0.903874734141E+02 -0.45443E-02 -0.93134E-03 618 0.703E-01 0.119E-01
DAV: 12 -0.903894821840E+02 -0.20088E-02 -0.46066E-03 637 0.341E-01 0.115E-01
DAV: 13 -0.903927791812E+02 -0.32970E-02 -0.18148E-03 749 0.295E-01 0.853E-02
DAV: 14 -0.903956073472E+02 -0.28282E-02 -0.99959E-04 639 0.147E-01 0.600E-02
DAV: 15 -0.903973781972E+02 -0.17709E-02 -0.31394E-04 688 0.111E-01 0.296E-02
DAV: 16 -0.903989353618E+02 -0.15572E-02 -0.49752E-04 672 0.130E-01 0.341E-02
DAV: 17 -0.903994289084E+02 -0.49355E-03 -0.16471E-04 896 0.907E-02 0.214E-02
DAV: 18 -0.903995327789E+02 -0.10387E-03 -0.42662E-05 720 0.366E-02 0.153E-02
DAV: 19 -0.903997165589E+02 -0.18378E-03 -0.27559E-05 505 0.319E-02 0.851E-03
DAV: 20 -0.903998184468E+02 -0.10189E-03 -0.21598E-05 536 0.289E-02 0.474E-03
DAV: 21 -0.903998585627E+02 -0.40116E-04 -0.64210E-06 469 0.141E-02 0.433E-03
DAV: 22 -0.903998819673E+02 -0.23405E-04 -0.43142E-06 442 0.112E-02 0.268E-03
DAV: 23 -0.903998850610E+02 -0.30937E-05 -0.11465E-06 528 0.690E-03
1 F= -.90399885E+02 E0= -.90407705E+02 d E =0.234593E-01