iterations/neb0_image09_iter254_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 0.374184194105E+03 0.37418E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329878292890E+01 -0.37089E+03 -0.35825E+03 869 0.196E+02
DAV: 3 -0.967704772876E+02 -0.10007E+03 -0.99741E+02 661 0.117E+02
DAV: 4 -0.101287846571E+03 -0.45174E+01 -0.45068E+01 720 0.287E+01
DAV: 5 -0.101376256727E+03 -0.88410E-01 -0.88373E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926834025129E+02 0.86929E+01 -0.31019E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918119556781E+02 0.87145E+00 -0.17214E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914359746615E+02 0.37598E+00 -0.54245E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913548399545E+02 0.81135E-01 -0.13254E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913467279331E+02 0.81120E-02 -0.44341E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913512154658E+02 -0.44875E-02 -0.12451E-02 608 0.581E-01 0.137E-01
DAV: 12 -0.913543556808E+02 -0.31402E-02 -0.28007E-03 623 0.236E-01 0.109E-01
DAV: 13 -0.913578907062E+02 -0.35350E-02 -0.15517E-03 685 0.210E-01 0.420E-02
DAV: 14 -0.913613034375E+02 -0.34127E-02 -0.63620E-04 656 0.146E-01 0.312E-02
DAV: 15 -0.913625126453E+02 -0.12092E-02 -0.11179E-04 720 0.677E-02 0.302E-02
DAV: 16 -0.913639506809E+02 -0.14380E-02 -0.37394E-04 642 0.104E-01 0.222E-02
DAV: 17 -0.913642207503E+02 -0.27007E-03 -0.57547E-05 704 0.587E-02 0.132E-02
DAV: 18 -0.913644253108E+02 -0.20456E-03 -0.47750E-05 637 0.348E-02 0.105E-02
DAV: 19 -0.913645537514E+02 -0.12844E-03 -0.11861E-05 440 0.175E-02 0.532E-03
DAV: 20 -0.913645929840E+02 -0.39233E-04 -0.10249E-05 488 0.192E-02 0.227E-03
DAV: 21 -0.913646126010E+02 -0.19617E-04 -0.46442E-06 429 0.108E-02 0.273E-03
DAV: 22 -0.913646175730E+02 -0.49720E-05 -0.10167E-06 496 0.476E-03
1 F= -.91364618E+02 E0= -.91369423E+02 d E =0.144176E-01