iterations/neb0_image09_iter78_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 0.374769617830E+03 0.37477E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.256199881444E+01 -0.37221E+03 -0.35983E+03 877 0.196E+02
DAV: 3 -0.966862922972E+02 -0.99248E+02 -0.98909E+02 656 0.117E+02
DAV: 4 -0.101227032708E+03 -0.45407E+01 -0.45315E+01 696 0.289E+01
DAV: 5 -0.101316927727E+03 -0.89895E-01 -0.89856E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926644906738E+02 0.86524E+01 -0.30854E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918000184018E+02 0.86447E+00 -0.17208E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914232652426E+02 0.37675E+00 -0.54438E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913403457649E+02 0.82919E-01 -0.13093E-01 701 0.155E+00 0.423E-01
DAV: 10 -0.913313702052E+02 0.89756E-02 -0.45756E-02 760 0.112E+00 0.304E-01
DAV: 11 -0.913359727843E+02 -0.46026E-02 -0.13395E-02 605 0.600E-01 0.149E-01
DAV: 12 -0.913389119427E+02 -0.29392E-02 -0.30498E-03 628 0.246E-01 0.113E-01
DAV: 13 -0.913426865656E+02 -0.37746E-02 -0.15498E-03 728 0.217E-01 0.435E-02
DAV: 14 -0.913461467966E+02 -0.34602E-02 -0.60810E-04 669 0.135E-01 0.347E-02
DAV: 15 -0.913475621942E+02 -0.14154E-02 -0.14125E-04 720 0.744E-02 0.350E-02
DAV: 16 -0.913488994288E+02 -0.13372E-02 -0.35271E-04 644 0.949E-02 0.200E-02
DAV: 17 -0.913491845995E+02 -0.28517E-03 -0.54170E-05 688 0.570E-02 0.122E-02
DAV: 18 -0.913494416298E+02 -0.25703E-03 -0.46397E-05 567 0.312E-02 0.114E-02
DAV: 19 -0.913495182652E+02 -0.76635E-04 -0.92906E-06 480 0.176E-02 0.549E-03
DAV: 20 -0.913495502921E+02 -0.32027E-04 -0.10854E-05 448 0.199E-02 0.223E-03
DAV: 21 -0.913495709724E+02 -0.20680E-04 -0.33092E-06 447 0.851E-03 0.235E-03
DAV: 22 -0.913495761167E+02 -0.51443E-05 -0.88481E-07 456 0.465E-03
1 F= -.91349576E+02 E0= -.91354413E+02 d E =0.145113E-01