iterations/neb0_image07_iter32_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 0.375667245344E+03 0.37567E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.372021885483E+01 -0.37195E+03 -0.35887E+03 861 0.196E+02
DAV: 3 -0.963128057535E+02 -0.10003E+03 -0.99697E+02 664 0.117E+02
DAV: 4 -0.100720548665E+03 -0.44077E+01 -0.43959E+01 728 0.284E+01
DAV: 5 -0.100805290902E+03 -0.84742E-01 -0.84719E-01 728 0.356E+00 0.229E+01
DAV: 6 -0.920145002801E+02 0.87908E+01 -0.30604E+01 663 0.303E+01 0.120E+01
DAV: 7 -0.911061815946E+02 0.90832E+00 -0.17254E+00 720 0.626E+00 0.482E+00
DAV: 8 -0.907225851599E+02 0.38360E+00 -0.56484E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.906357808610E+02 0.86804E-01 -0.13280E-01 712 0.156E+00 0.437E-01
DAV: 10 -0.906254108776E+02 0.10370E-01 -0.42116E-02 736 0.105E+00 0.298E-01
DAV: 11 -0.906301804897E+02 -0.47696E-02 -0.12150E-02 607 0.594E-01 0.161E-01
DAV: 12 -0.906324921673E+02 -0.23117E-02 -0.20263E-03 650 0.212E-01 0.116E-01
DAV: 13 -0.906372871164E+02 -0.47949E-02 -0.30611E-03 641 0.299E-01 0.629E-02
DAV: 14 -0.906390476910E+02 -0.17606E-02 -0.34515E-04 704 0.132E-01 0.352E-02
DAV: 15 -0.906422885053E+02 -0.32408E-02 -0.64196E-04 636 0.129E-01 0.274E-02
DAV: 16 -0.906428766450E+02 -0.58814E-03 -0.49340E-05 704 0.562E-02 0.179E-02
DAV: 17 -0.906437824114E+02 -0.90577E-03 -0.19465E-04 643 0.867E-02 0.159E-02
DAV: 18 -0.906440805836E+02 -0.29817E-03 -0.33179E-05 621 0.377E-02 0.106E-02
DAV: 19 -0.906442092255E+02 -0.12864E-03 -0.26826E-05 567 0.287E-02 0.411E-03
DAV: 20 -0.906442659615E+02 -0.56736E-04 -0.63077E-06 474 0.122E-02 0.224E-03
DAV: 21 -0.906442947391E+02 -0.28778E-04 -0.35907E-06 408 0.745E-03 0.270E-03
DAV: 22 -0.906443031470E+02 -0.84079E-05 -0.11339E-06 472 0.612E-03
1 F= -.90644303E+02 E0= -.90650486E+02 d E =0.185474E-01