iterations/neb0_image01_iter8_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 0.364957888623E+03 0.36496E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.246015782478E+01 -0.36250E+03 -0.35064E+03 847 0.195E+02
DAV: 3 -0.957068712711E+02 -0.98167E+02 -0.97850E+02 688 0.116E+02
DAV: 4 -0.100010401582E+03 -0.43035E+01 -0.42923E+01 704 0.272E+01
DAV: 5 -0.100095860033E+03 -0.85458E-01 -0.85406E-01 728 0.341E+00 0.222E+01
DAV: 6 -0.914393541990E+02 0.86565E+01 -0.31094E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906166526731E+02 0.82270E+00 -0.17961E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.902359919517E+02 0.38066E+00 -0.58622E-01 720 0.439E+00 0.166E+00
DAV: 9 -0.901538044243E+02 0.82188E-01 -0.13282E-01 728 0.162E+00 0.434E-01
DAV: 10 -0.901484985981E+02 0.53058E-02 -0.43678E-02 712 0.120E+00 0.316E-01
DAV: 11 -0.901520591171E+02 -0.35605E-02 -0.55906E-03 608 0.495E-01 0.143E-01
DAV: 12 -0.901556994843E+02 -0.36404E-02 -0.70726E-03 624 0.442E-01 0.131E-01
DAV: 13 -0.901587853994E+02 -0.30859E-02 -0.18409E-03 829 0.345E-01 0.755E-02
DAV: 14 -0.901613602502E+02 -0.25749E-02 -0.10424E-03 626 0.143E-01 0.555E-02
DAV: 15 -0.901635855836E+02 -0.22253E-02 -0.32511E-04 680 0.963E-02 0.315E-02
DAV: 16 -0.901649478978E+02 -0.13623E-02 -0.36993E-04 658 0.101E-01 0.265E-02
DAV: 17 -0.901655424694E+02 -0.59457E-03 -0.61980E-05 717 0.515E-02 0.161E-02
DAV: 18 -0.901659882748E+02 -0.44581E-03 -0.12102E-04 642 0.552E-02 0.113E-02
DAV: 19 -0.901660337244E+02 -0.45450E-04 -0.49405E-06 512 0.181E-02 0.910E-03
DAV: 20 -0.901661142139E+02 -0.80489E-04 -0.43072E-05 610 0.426E-02 0.819E-03
DAV: 21 -0.901661338716E+02 -0.19658E-04 -0.48857E-06 488 0.202E-02 0.508E-03
DAV: 22 -0.901661525004E+02 -0.18629E-04 -0.85002E-06 425 0.155E-02 0.145E-03
DAV: 23 -0.901661559233E+02 -0.34229E-05 -0.11961E-06 528 0.574E-03
1 F= -.90166156E+02 E0= -.90173669E+02 d E =0.225382E-01