iterations/neb0_image08_iter190_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 0.374402894404E+03 0.37440E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.361100921347E+01 -0.37079E+03 -0.35851E+03 863 0.196E+02
DAV: 3 -0.966786746256E+02 -0.10029E+03 -0.99986E+02 669 0.117E+02
DAV: 4 -0.101272744175E+03 -0.45941E+01 -0.45819E+01 728 0.287E+01
DAV: 5 -0.101362845605E+03 -0.90101E-01 -0.90046E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926604181780E+02 0.87024E+01 -0.30945E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917895450866E+02 0.87087E+00 -0.17361E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914145467087E+02 0.37500E+00 -0.54139E-01 720 0.395E+00 0.162E+00
DAV: 9 -0.913342992326E+02 0.80247E-01 -0.13183E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913263190264E+02 0.79802E-02 -0.44414E-02 752 0.109E+00 0.301E-01
DAV: 11 -0.913310714201E+02 -0.47524E-02 -0.13132E-02 605 0.597E-01 0.143E-01
DAV: 12 -0.913340485008E+02 -0.29771E-02 -0.27615E-03 630 0.240E-01 0.104E-01
DAV: 13 -0.913375424991E+02 -0.34940E-02 -0.17171E-03 639 0.215E-01 0.450E-02
DAV: 14 -0.913410641956E+02 -0.35217E-02 -0.87883E-04 661 0.190E-01 0.363E-02
DAV: 15 -0.913419564577E+02 -0.89226E-03 -0.19540E-04 696 0.896E-02 0.299E-02
DAV: 16 -0.913429168364E+02 -0.96038E-03 -0.21781E-04 698 0.889E-02 0.132E-02
DAV: 17 -0.913436413865E+02 -0.72455E-03 -0.66520E-05 656 0.398E-02 0.131E-02
DAV: 18 -0.913439042177E+02 -0.26283E-03 -0.33381E-05 624 0.260E-02 0.870E-03
DAV: 19 -0.913440206284E+02 -0.11641E-03 -0.25512E-05 552 0.275E-02 0.509E-03
DAV: 20 -0.913440400876E+02 -0.19459E-04 -0.32808E-06 512 0.126E-02 0.316E-03
DAV: 21 -0.913440557262E+02 -0.15639E-04 -0.42752E-06 404 0.112E-02 0.142E-03
DAV: 22 -0.913440610522E+02 -0.53260E-05 -0.90358E-07 456 0.458E-03
1 F= -.91344061E+02 E0= -.91349225E+02 d E =0.154910E-01