./iterations/neb0_image06_iter212_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 0.370049797824E+03 0.37005E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.416211290986E+01 -0.36589E+03 -0.35383E+03 858 0.193E+02
DAV: 3 -0.954346719839E+02 -0.99597E+02 -0.99243E+02 656 0.116E+02
DAV: 4 -0.100280362752E+03 -0.48457E+01 -0.48309E+01 728 0.292E+01
DAV: 5 -0.100381604554E+03 -0.10124E+00 -0.10120E+00 744 0.376E+00 0.225E+01
DAV: 6 -0.918278270805E+02 0.85538E+01 -0.30510E+01 696 0.302E+01 0.118E+01
DAV: 7 -0.910122971876E+02 0.81553E+00 -0.17575E+00 704 0.630E+00 0.480E+00
DAV: 8 -0.906374772333E+02 0.37482E+00 -0.54783E-01 704 0.412E+00 0.167E+00
DAV: 9 -0.905469188066E+02 0.90558E-01 -0.12989E-01 720 0.159E+00 0.426E-01
DAV: 10 -0.905366585417E+02 0.10260E-01 -0.36585E-02 736 0.948E-01 0.285E-01
DAV: 11 -0.905407557459E+02 -0.40972E-02 -0.94062E-03 602 0.499E-01 0.147E-01
DAV: 12 -0.905435350229E+02 -0.27793E-02 -0.27579E-03 626 0.293E-01 0.823E-02
DAV: 13 -0.905473220923E+02 -0.37871E-02 -0.14295E-03 639 0.172E-01 0.681E-02
DAV: 14 -0.905511025212E+02 -0.37804E-02 -0.12496E-03 688 0.242E-01 0.444E-02
DAV: 15 -0.905525603106E+02 -0.14578E-02 -0.27443E-04 760 0.106E-01 0.388E-02
DAV: 16 -0.905541380759E+02 -0.15778E-02 -0.43223E-04 671 0.121E-01 0.189E-02
DAV: 17 -0.905547808926E+02 -0.64282E-03 -0.91490E-05 717 0.556E-02 0.135E-02
DAV: 18 -0.905550369178E+02 -0.25603E-03 -0.28495E-05 592 0.206E-02 0.783E-03
DAV: 19 -0.905551455055E+02 -0.10859E-03 -0.16166E-05 450 0.238E-02 0.190E-03
DAV: 20 -0.905551813045E+02 -0.35799E-04 -0.88589E-06 437 0.137E-02 0.414E-03
DAV: 21 -0.905551881786E+02 -0.68740E-05 -0.14804E-06 474 0.589E-03
1 F= -.90555188E+02 E0= -.90560020E+02 d E =0.144940E-01