./iterations/neb0_image08_iter228_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 0.373574279461E+03 0.37357E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.267602275233E+01 -0.37090E+03 -0.35920E+03 877 0.196E+02
DAV: 3 -0.966449251168E+02 -0.99321E+02 -0.99017E+02 656 0.116E+02
DAV: 4 -0.101223897402E+03 -0.45790E+01 -0.45671E+01 720 0.290E+01
DAV: 5 -0.101314590704E+03 -0.90693E-01 -0.90644E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926475388865E+02 0.86671E+01 -0.30978E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917884243382E+02 0.85911E+00 -0.17223E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914144105361E+02 0.37401E+00 -0.54631E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913349262774E+02 0.79484E-01 -0.12997E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913270851242E+02 0.78412E-02 -0.43965E-02 744 0.106E+00 0.298E-01
DAV: 11 -0.913319447652E+02 -0.48596E-02 -0.12858E-02 608 0.588E-01 0.143E-01
DAV: 12 -0.913349252770E+02 -0.29805E-02 -0.26633E-03 634 0.222E-01 0.113E-01
DAV: 13 -0.913386545633E+02 -0.37293E-02 -0.24760E-03 639 0.260E-01 0.527E-02
DAV: 14 -0.913417096302E+02 -0.30551E-02 -0.70078E-04 661 0.153E-01 0.240E-02
DAV: 15 -0.913430891293E+02 -0.13795E-02 -0.13889E-04 680 0.614E-02 0.196E-02
DAV: 16 -0.913441595958E+02 -0.10705E-02 -0.15513E-04 639 0.704E-02 0.116E-02
DAV: 17 -0.913445578928E+02 -0.39830E-03 -0.32557E-05 600 0.314E-02 0.116E-02
DAV: 18 -0.913447555784E+02 -0.19769E-03 -0.35733E-05 629 0.332E-02 0.520E-03
DAV: 19 -0.913448312458E+02 -0.75667E-04 -0.76764E-06 472 0.149E-02 0.251E-03
DAV: 20 -0.913448551964E+02 -0.23951E-04 -0.40371E-06 469 0.846E-03 0.185E-03
DAV: 21 -0.913448643100E+02 -0.91137E-05 -0.12146E-06 434 0.482E-03
1 F= -.91344864E+02 E0= -.91349737E+02 d E =0.146185E-01