iterations/neb0_image01_iter226_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 0.365302061622E+03 0.36530E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.320487821467E+01 -0.36210E+03 -0.34900E+03 839 0.196E+02
DAV: 3 -0.955122809219E+02 -0.98717E+02 -0.98373E+02 653 0.116E+02
DAV: 4 -0.100214003801E+03 -0.47017E+01 -0.46894E+01 704 0.293E+01
DAV: 5 -0.100306988393E+03 -0.92985E-01 -0.92935E-01 728 0.370E+00 0.222E+01
DAV: 6 -0.916914105354E+02 0.86156E+01 -0.30947E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908893921230E+02 0.80202E+00 -0.18280E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905134503442E+02 0.37594E+00 -0.55308E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904306367612E+02 0.82814E-01 -0.13256E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904260688308E+02 0.45679E-02 -0.47130E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904301079061E+02 -0.40391E-02 -0.74788E-03 608 0.551E-01 0.123E-01
DAV: 12 -0.904336238014E+02 -0.35159E-02 -0.68514E-03 637 0.463E-01 0.136E-01
DAV: 13 -0.904359942472E+02 -0.23704E-02 -0.17285E-03 861 0.319E-01 0.751E-02
DAV: 14 -0.904391285291E+02 -0.31343E-02 -0.14480E-03 642 0.189E-01 0.681E-02
DAV: 15 -0.904408369020E+02 -0.17084E-02 -0.31799E-04 680 0.110E-01 0.553E-02
DAV: 16 -0.904422158326E+02 -0.13789E-02 -0.10427E-03 669 0.198E-01 0.364E-02
DAV: 17 -0.904430171470E+02 -0.80131E-03 -0.13565E-04 661 0.778E-02 0.328E-02
DAV: 18 -0.904433484056E+02 -0.33126E-03 -0.10123E-04 680 0.519E-02 0.154E-02
DAV: 19 -0.904435016719E+02 -0.15327E-03 -0.70953E-05 645 0.450E-02 0.930E-03
DAV: 20 -0.904435336202E+02 -0.31948E-04 -0.46243E-06 512 0.152E-02 0.936E-03
DAV: 21 -0.904435733042E+02 -0.39684E-04 -0.82088E-06 409 0.164E-02 0.563E-03
DAV: 22 -0.904435793830E+02 -0.60787E-05 -0.57823E-06 488 0.148E-02
1 F= -.90443579E+02 E0= -.90449322E+02 d E =0.172275E-01