./iterations/neb0_image06_iter213_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 0.370144928716E+03 0.37014E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.417829795156E+01 -0.36597E+03 -0.35390E+03 858 0.193E+02
DAV: 3 -0.954422396247E+02 -0.99621E+02 -0.99269E+02 656 0.116E+02
DAV: 4 -0.100290787163E+03 -0.48485E+01 -0.48339E+01 728 0.292E+01
DAV: 5 -0.100392065927E+03 -0.10128E+00 -0.10123E+00 744 0.376E+00 0.225E+01
DAV: 6 -0.918426932033E+02 0.85494E+01 -0.30517E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.910279568876E+02 0.81474E+00 -0.17520E+00 704 0.630E+00 0.480E+00
DAV: 8 -0.906532486172E+02 0.37471E+00 -0.54535E-01 704 0.411E+00 0.167E+00
DAV: 9 -0.905628216413E+02 0.90427E-01 -0.12985E-01 712 0.159E+00 0.425E-01
DAV: 10 -0.905525945452E+02 0.10227E-01 -0.36727E-02 744 0.951E-01 0.285E-01
DAV: 11 -0.905567023275E+02 -0.41078E-02 -0.93704E-03 602 0.497E-01 0.145E-01
DAV: 12 -0.905595208271E+02 -0.28185E-02 -0.27255E-03 626 0.290E-01 0.821E-02
DAV: 13 -0.905633044789E+02 -0.37837E-02 -0.13946E-03 639 0.169E-01 0.677E-02
DAV: 14 -0.905671204448E+02 -0.38160E-02 -0.12666E-03 688 0.242E-01 0.449E-02
DAV: 15 -0.905685308487E+02 -0.14104E-02 -0.27060E-04 760 0.106E-01 0.391E-02
DAV: 16 -0.905701053270E+02 -0.15745E-02 -0.44380E-04 671 0.123E-01 0.192E-02
DAV: 17 -0.905707385439E+02 -0.63322E-03 -0.92177E-05 717 0.563E-02 0.136E-02
DAV: 18 -0.905709927858E+02 -0.25424E-03 -0.28439E-05 592 0.207E-02 0.795E-03
DAV: 19 -0.905711003747E+02 -0.10759E-03 -0.15959E-05 450 0.236E-02 0.187E-03
DAV: 20 -0.905711350690E+02 -0.34694E-04 -0.87901E-06 437 0.139E-02 0.412E-03
DAV: 21 -0.905711432764E+02 -0.82074E-05 -0.16228E-06 450 0.589E-03
1 F= -.90571143E+02 E0= -.90576011E+02 d E =0.146046E-01