./iterations/neb0_image04_iter116_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 0.370451343022E+03 0.37045E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.401504711789E+01 -0.36644E+03 -0.35461E+03 858 0.195E+02
DAV: 3 -0.954813673684E+02 -0.99496E+02 -0.99182E+02 677 0.116E+02
DAV: 4 -0.999041034650E+02 -0.44227E+01 -0.44119E+01 704 0.282E+01
DAV: 5 -0.999890618976E+02 -0.84958E-01 -0.84919E-01 712 0.354E+00 0.222E+01
DAV: 6 -0.914392714450E+02 0.85498E+01 -0.30030E+01 685 0.295E+01 0.116E+01
DAV: 7 -0.905793031790E+02 0.85997E+00 -0.17662E+00 712 0.628E+00 0.480E+00
DAV: 8 -0.901807561361E+02 0.39855E+00 -0.55878E-01 720 0.421E+00 0.164E+00
DAV: 9 -0.900868845577E+02 0.93872E-01 -0.13148E-01 712 0.178E+00 0.442E-01
DAV: 10 -0.900774677801E+02 0.94168E-02 -0.55405E-02 712 0.132E+00 0.349E-01
DAV: 11 -0.900816967286E+02 -0.42289E-02 -0.16476E-02 616 0.778E-01 0.166E-01
DAV: 12 -0.900822301554E+02 -0.53343E-03 -0.43572E-03 661 0.385E-01 0.137E-01
DAV: 13 -0.900865640705E+02 -0.43339E-02 -0.71295E-03 805 0.636E-01 0.114E-01
DAV: 14 -0.900890763101E+02 -0.25122E-02 -0.16645E-03 680 0.237E-01 0.819E-02
DAV: 15 -0.900910086283E+02 -0.19323E-02 -0.80692E-04 666 0.157E-01 0.308E-02
DAV: 16 -0.900931108329E+02 -0.21022E-02 -0.42961E-04 685 0.110E-01 0.325E-02
DAV: 17 -0.900942184798E+02 -0.11076E-02 -0.10606E-04 677 0.484E-02 0.255E-02
DAV: 18 -0.900947949821E+02 -0.57650E-03 -0.21317E-04 639 0.856E-02 0.123E-02
DAV: 19 -0.900948393109E+02 -0.44329E-04 -0.15612E-05 528 0.251E-02 0.112E-02
DAV: 20 -0.900949454221E+02 -0.10611E-03 -0.26030E-05 550 0.322E-02 0.763E-03
DAV: 21 -0.900949761187E+02 -0.30697E-04 -0.45647E-06 469 0.167E-02 0.488E-03
DAV: 22 -0.900950053172E+02 -0.29199E-04 -0.91396E-06 414 0.176E-02 0.237E-03
DAV: 23 -0.900950186927E+02 -0.13376E-04 -0.20371E-06 458 0.754E-03 0.175E-03
DAV: 24 -0.900950246466E+02 -0.59539E-05 -0.15609E-06 430 0.729E-03
1 F= -.90095025E+02 E0= -.90099355E+02 d E =0.129912E-01