iterations/neb0_image09_iter285_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 0.374273394395E+03 0.37427E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.334692977483E+01 -0.37093E+03 -0.35828E+03 866 0.196E+02
DAV: 3 -0.967662276696E+02 -0.10011E+03 -0.99789E+02 664 0.117E+02
DAV: 4 -0.101299973744E+03 -0.45337E+01 -0.45230E+01 712 0.287E+01
DAV: 5 -0.101389126514E+03 -0.89153E-01 -0.89113E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926877017747E+02 0.87014E+01 -0.30995E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918121365303E+02 0.87557E+00 -0.17220E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914354943420E+02 0.37664E+00 -0.54547E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913549119197E+02 0.80582E-01 -0.13105E-01 720 0.154E+00 0.422E-01
DAV: 10 -0.913467252856E+02 0.81866E-02 -0.45540E-02 744 0.109E+00 0.305E-01
DAV: 11 -0.913514180429E+02 -0.46928E-02 -0.13692E-02 608 0.607E-01 0.145E-01
DAV: 12 -0.913544186418E+02 -0.30006E-02 -0.28826E-03 620 0.227E-01 0.116E-01
DAV: 13 -0.913581644759E+02 -0.37458E-02 -0.24061E-03 693 0.260E-01 0.496E-02
DAV: 14 -0.913615027033E+02 -0.33382E-02 -0.61439E-04 664 0.130E-01 0.251E-02
DAV: 15 -0.913629231427E+02 -0.14204E-02 -0.12316E-04 688 0.585E-02 0.214E-02
DAV: 16 -0.913641066963E+02 -0.11836E-02 -0.21410E-04 637 0.694E-02 0.157E-02
DAV: 17 -0.913642461036E+02 -0.13941E-03 -0.15478E-05 496 0.343E-02 0.114E-02
DAV: 18 -0.913645075256E+02 -0.26142E-03 -0.88899E-05 612 0.503E-02 0.131E-02
DAV: 19 -0.913645338139E+02 -0.26288E-04 -0.13284E-05 576 0.322E-02 0.518E-03
DAV: 20 -0.913645606958E+02 -0.26882E-04 -0.12249E-05 421 0.190E-02 0.174E-03
DAV: 21 -0.913645849209E+02 -0.24225E-04 -0.57930E-06 448 0.119E-02 0.374E-03
DAV: 22 -0.913645883759E+02 -0.34551E-05 -0.96728E-07 496 0.763E-03
1 F= -.91364588E+02 E0= -.91369356E+02 d E =0.143019E-01