iterations/neb0_image08_iter67_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 0.376642305552E+03 0.37664E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.387030754517E+01 -0.37277E+03 -0.35912E+03 869 0.196E+02
DAV: 3 -0.967915235589E+02 -0.10066E+03 -0.10033E+03 688 0.117E+02
DAV: 4 -0.101134107833E+03 -0.43426E+01 -0.43328E+01 696 0.276E+01
DAV: 5 -0.101218814229E+03 -0.84706E-01 -0.84669E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.925749004884E+02 0.86439E+01 -0.30825E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.917024396759E+02 0.87246E+00 -0.16924E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913214480100E+02 0.38099E+00 -0.55600E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912370277927E+02 0.84420E-01 -0.13018E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912274465341E+02 0.95813E-02 -0.48554E-02 728 0.113E+00 0.312E-01
DAV: 11 -0.912324276669E+02 -0.49811E-02 -0.15472E-02 608 0.644E-01 0.168E-01
DAV: 12 -0.912351795750E+02 -0.27519E-02 -0.32063E-03 639 0.246E-01 0.135E-01
DAV: 13 -0.912392333036E+02 -0.40537E-02 -0.28482E-03 693 0.300E-01 0.543E-02
DAV: 14 -0.912421011138E+02 -0.28678E-02 -0.48146E-04 656 0.120E-01 0.361E-02
DAV: 15 -0.912443675109E+02 -0.22664E-02 -0.21414E-04 645 0.596E-02 0.292E-02
DAV: 16 -0.912453257601E+02 -0.95825E-03 -0.20426E-04 669 0.693E-02 0.150E-02
DAV: 17 -0.912457568321E+02 -0.43107E-03 -0.31635E-05 549 0.294E-02 0.140E-02
DAV: 18 -0.912459870044E+02 -0.23017E-03 -0.42018E-05 653 0.292E-02 0.607E-03
DAV: 19 -0.912460162299E+02 -0.29225E-04 -0.35676E-06 528 0.158E-02 0.308E-03
DAV: 20 -0.912460514206E+02 -0.35191E-04 -0.80904E-06 398 0.167E-02 0.386E-03
DAV: 21 -0.912460692593E+02 -0.17839E-04 -0.22778E-06 472 0.818E-03 0.331E-03
DAV: 22 -0.912460724823E+02 -0.32231E-05 -0.17859E-06 512 0.927E-03
1 F= -.91246072E+02 E0= -.91251014E+02 d E =0.148242E-01