./iterations/neb0_image06_iter43_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 0.377275640110E+03 0.37728E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.479572168234E+01 -0.37248E+03 -0.35920E+03 861 0.196E+02
DAV: 3 -0.956770435398E+02 -0.10047E+03 -0.10014E+03 656 0.117E+02
DAV: 4 -0.100104783629E+03 -0.44277E+01 -0.44166E+01 720 0.290E+01
DAV: 5 -0.100190442044E+03 -0.85658E-01 -0.85631E-01 736 0.364E+00 0.229E+01
DAV: 6 -0.914216623054E+02 0.87688E+01 -0.30649E+01 671 0.306E+01 0.119E+01
DAV: 7 -0.905338891419E+02 0.88777E+00 -0.17425E+00 728 0.639E+00 0.482E+00
DAV: 8 -0.901467113496E+02 0.38718E+00 -0.51965E-01 696 0.399E+00 0.169E+00
DAV: 9 -0.900560722634E+02 0.90639E-01 -0.13673E-01 720 0.189E+00 0.465E-01
DAV: 10 -0.900468973681E+02 0.91749E-02 -0.22362E-02 792 0.865E-01 0.295E-01
DAV: 11 -0.900494589644E+02 -0.25616E-02 -0.19470E-02 696 0.968E-01 0.236E-01
DAV: 12 -0.900500039809E+02 -0.54502E-03 -0.39676E-03 848 0.564E-01 0.130E-01
DAV: 13 -0.900536144118E+02 -0.36104E-02 -0.40140E-03 605 0.330E-01 0.114E-01
DAV: 14 -0.900569680457E+02 -0.33536E-02 -0.11081E-03 669 0.190E-01 0.740E-02
DAV: 15 -0.900602740048E+02 -0.33060E-02 -0.10043E-03 712 0.211E-01 0.407E-02
DAV: 16 -0.900623860648E+02 -0.21121E-02 -0.46238E-04 672 0.113E-01 0.284E-02
DAV: 17 -0.900634889366E+02 -0.11029E-02 -0.94960E-05 701 0.435E-02 0.200E-02
DAV: 18 -0.900639864157E+02 -0.49748E-03 -0.67878E-05 696 0.499E-02 0.725E-03
DAV: 19 -0.900642970408E+02 -0.31063E-03 -0.50835E-05 639 0.376E-02 0.130E-02
DAV: 20 -0.900643505353E+02 -0.53494E-04 -0.61762E-06 528 0.218E-02 0.723E-03
DAV: 21 -0.900644140657E+02 -0.63530E-04 -0.22264E-05 518 0.262E-02 0.434E-03
DAV: 22 -0.900644287266E+02 -0.14661E-04 -0.20124E-06 504 0.805E-03 0.371E-03
DAV: 23 -0.900644409692E+02 -0.12243E-04 -0.16072E-06 406 0.723E-03 0.156E-03
DAV: 24 -0.900644467704E+02 -0.58012E-05 -0.16913E-06 458 0.732E-03
1 F= -.90064447E+02 E0= -.90075713E+02 d E =0.337996E-01