./iterations/neb0_image09_iter9_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145283131482E+04 0.14528E+04 -0.44272E+04 330 0.697E+02
DAV: 2 0.231660811779E+03 -0.12212E+04 -0.11451E+04 426 0.163E+02
DAV: 3 -0.359311903862E+03 -0.59097E+03 -0.58756E+03 345 0.114E+02
DAV: 4 -0.431956484452E+03 -0.72645E+02 -0.72347E+02 318 0.514E+01
DAV: 5 -0.433613020778E+03 -0.16565E+01 -0.16535E+01 318 0.802E+00 0.427E+01
DAV: 6 -0.387867945786E+03 0.45745E+02 -0.14700E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.384406339540E+03 0.34616E+01 -0.13136E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.382953154922E+03 0.14532E+01 -0.20684E+00 345 0.390E+00 0.434E+00
DAV: 9 -0.382422202704E+03 0.53095E+00 -0.85628E-01 336 0.226E+00 0.118E+00
DAV: 10 -0.382361491188E+03 0.60712E-01 -0.33863E-01 336 0.110E+00 0.104E+00
DAV: 11 -0.382333044363E+03 0.28447E-01 -0.18940E-01 345 0.569E-01 0.943E-01
DAV: 12 -0.382311317352E+03 0.21727E-01 -0.79470E-02 372 0.727E-01 0.123E+00
DAV: 13 -0.382284882334E+03 0.26435E-01 -0.75729E-02 336 0.462E-01 0.491E-01
DAV: 14 -0.382278842432E+03 0.60399E-02 -0.34269E-02 327 0.407E-01 0.595E-01
DAV: 15 -0.382275115601E+03 0.37268E-02 -0.17097E-02 318 0.342E-01 0.292E-01
DAV: 16 -0.382276280007E+03 -0.11644E-02 -0.61199E-03 309 0.290E-01 0.194E-01
DAV: 17 -0.382284125837E+03 -0.78458E-02 -0.53039E-03 309 0.212E-01 0.186E-01
DAV: 18 -0.382295267185E+03 -0.11141E-01 -0.38386E-03 318 0.216E-01 0.898E-02
DAV: 19 -0.382304396320E+03 -0.91291E-02 -0.20988E-03 318 0.143E-01 0.758E-02
DAV: 20 -0.382309893661E+03 -0.54973E-02 -0.51690E-04 327 0.585E-02 0.693E-02
DAV: 21 -0.382315218551E+03 -0.53249E-02 -0.27580E-04 300 0.414E-02 0.299E-02
DAV: 22 -0.382319474204E+03 -0.42557E-02 -0.23701E-04 327 0.342E-02 0.192E-02
DAV: 23 -0.382323195798E+03 -0.37216E-02 -0.21376E-04 300 0.278E-02 0.139E-02
DAV: 24 -0.382324202647E+03 -0.10068E-02 -0.35270E-05 300 0.116E-02 0.976E-03
DAV: 25 -0.382325351009E+03 -0.11484E-02 -0.54973E-05 273 0.133E-02 0.544E-03
DAV: 26 -0.382325611611E+03 -0.26060E-03 -0.61227E-06 228 0.522E-03 0.393E-03
DAV: 27 -0.382325762065E+03 -0.15045E-03 -0.44661E-06 237 0.496E-03 0.342E-03
DAV: 28 -0.382325925334E+03 -0.16327E-03 -0.49542E-06 201 0.431E-03 0.235E-03
DAV: 29 -0.382325982321E+03 -0.56988E-04 -0.26653E-06 228 0.364E-03 0.208E-03
DAV: 30 -0.382326017899E+03 -0.35577E-04 -0.23634E-06 210 0.368E-03 0.162E-03
DAV: 31 -0.382326027643E+03 -0.97445E-05 -0.80169E-07 228 0.208E-03
1 F= -.38232603E+03 E0= -.38234258E+03 d E =0.496658E-01