./iterations/neb0_image02_iter2_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 0.144794714342E+04 0.14479E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224428712242E+03 -0.12235E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362827352161E+03 -0.58726E+03 -0.58412E+03 345 0.114E+02
DAV: 4 -0.433445494829E+03 -0.70618E+02 -0.70380E+02 309 0.508E+01
DAV: 5 -0.435029658956E+03 -0.15842E+01 -0.15816E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389084921705E+03 0.45945E+02 -0.14799E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622064383E+03 0.34629E+01 -0.13560E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384144895917E+03 0.14772E+01 -0.20984E+00 336 0.383E+00 0.432E+00
DAV: 9 -0.383607060156E+03 0.53784E+00 -0.17089E+00 345 0.243E+00 0.141E+00
DAV: 10 -0.383543423176E+03 0.63637E-01 -0.40260E-01 318 0.117E+00 0.102E+00
DAV: 11 -0.383510025656E+03 0.33398E-01 -0.16832E-01 336 0.654E-01 0.915E-01
DAV: 12 -0.383490601062E+03 0.19425E-01 -0.23008E-01 327 0.722E-01 0.877E-01
DAV: 13 -0.383476489245E+03 0.14112E-01 -0.17280E-01 354 0.544E-01 0.742E-01
DAV: 14 -0.383462361148E+03 0.14128E-01 -0.70236E-02 345 0.386E-01 0.417E-01
DAV: 15 -0.383460174962E+03 0.21862E-02 -0.20658E-02 309 0.397E-01 0.375E-01
DAV: 16 -0.383463498678E+03 -0.33237E-02 -0.18631E-02 336 0.265E-01 0.218E-01
DAV: 17 -0.383470455923E+03 -0.69572E-02 -0.27155E-03 282 0.151E-01 0.166E-01
DAV: 18 -0.383481790536E+03 -0.11335E-01 -0.34536E-03 318 0.186E-01 0.121E-01
DAV: 19 -0.383487722678E+03 -0.59321E-02 -0.21764E-03 363 0.142E-01 0.105E-01
DAV: 20 -0.383489188137E+03 -0.14655E-02 -0.62030E-04 327 0.571E-02 0.108E-01
DAV: 21 -0.383490256334E+03 -0.10682E-02 -0.19377E-04 363 0.414E-02 0.134E-01
DAV: 22 -0.383493634809E+03 -0.33785E-02 -0.11533E-03 345 0.108E-01 0.935E-02
DAV: 23 -0.383498121903E+03 -0.44871E-02 -0.75366E-04 291 0.734E-02 0.876E-02
DAV: 24 -0.383498404960E+03 -0.28306E-03 -0.35599E-03 372 0.123E-01 0.959E-02
DAV: 25 -0.383504115587E+03 -0.57106E-02 -0.20623E-03 300 0.112E-01 0.610E-02
DAV: 26 -0.383505326825E+03 -0.12112E-02 -0.27131E-04 318 0.345E-02 0.368E-02
DAV: 27 -0.383507528682E+03 -0.22019E-02 -0.13103E-04 300 0.224E-02 0.227E-02
DAV: 28 -0.383508851158E+03 -0.13225E-02 -0.10989E-04 309 0.200E-02 0.269E-02
DAV: 29 -0.383509471577E+03 -0.62042E-03 -0.40061E-05 309 0.171E-02 0.158E-02
DAV: 30 -0.383509834890E+03 -0.36331E-03 -0.14200E-05 237 0.951E-03 0.132E-02
DAV: 31 -0.383510136849E+03 -0.30196E-03 -0.46514E-05 264 0.109E-02 0.930E-03
DAV: 32 -0.383510228616E+03 -0.91767E-04 -0.19680E-05 255 0.803E-03 0.664E-03
DAV: 33 -0.383510367163E+03 -0.13855E-03 -0.21706E-05 210 0.819E-03 0.720E-03
DAV: 34 -0.383510403123E+03 -0.35960E-04 -0.27751E-06 228 0.391E-03 0.565E-03
DAV: 35 -0.383510427608E+03 -0.24485E-04 -0.16933E-06 219 0.338E-03 0.418E-03
DAV: 36 -0.383510462149E+03 -0.34541E-04 -0.18358E-06 210 0.267E-03 0.159E-03
DAV: 37 -0.383510480351E+03 -0.18202E-04 -0.31003E-06 219 0.327E-03 0.337E-03
DAV: 38 -0.383510489520E+03 -0.91690E-05 -0.76920E-07 219 0.191E-03
1 F= -.38351049E+03 E0= -.38352719E+03 d E =0.501065E-01