./iterations/neb0_image03_iter27_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 0.144881981790E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224678740335E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362490098006E+03 -0.58717E+03 -0.58360E+03 345 0.114E+02
DAV: 4 -0.433395117595E+03 -0.70905E+02 -0.70676E+02 309 0.508E+01
DAV: 5 -0.434985105263E+03 -0.15900E+01 -0.15873E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048704310E+03 0.45936E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385604239801E+03 0.34445E+01 -0.13713E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384132603532E+03 0.14716E+01 -0.20830E+00 336 0.386E+00 0.433E+00
DAV: 9 -0.383568126202E+03 0.56448E+00 -0.64659E-01 336 0.218E+00 0.122E+00
DAV: 10 -0.383516266873E+03 0.51859E-01 -0.43637E-01 336 0.102E+00 0.109E+00
DAV: 11 -0.383494562260E+03 0.21705E-01 -0.27889E-01 336 0.649E-01 0.109E+00
DAV: 12 -0.383471406142E+03 0.23156E-01 -0.12219E-01 345 0.442E-01 0.605E-01
DAV: 13 -0.383453194450E+03 0.18212E-01 -0.15388E-02 318 0.348E-01 0.369E-01
DAV: 14 -0.383441419219E+03 0.11775E-01 -0.27265E-02 318 0.430E-01 0.336E-01
DAV: 15 -0.383443360866E+03 -0.19416E-02 -0.17759E-02 327 0.293E-01 0.215E-01
DAV: 16 -0.383448106204E+03 -0.47453E-02 -0.58908E-03 291 0.204E-01 0.123E-01
DAV: 17 -0.383460285108E+03 -0.12179E-01 -0.40806E-03 300 0.185E-01 0.829E-02
DAV: 18 -0.383472324959E+03 -0.12040E-01 -0.32047E-03 309 0.183E-01 0.571E-02
DAV: 19 -0.383479121369E+03 -0.67964E-02 -0.11696E-03 327 0.923E-02 0.593E-02
DAV: 20 -0.383482920864E+03 -0.37995E-02 -0.20688E-04 354 0.425E-02 0.515E-02
DAV: 21 -0.383491232442E+03 -0.83116E-02 -0.62359E-04 300 0.497E-02 0.200E-02
DAV: 22 -0.383494068987E+03 -0.28365E-02 -0.13207E-04 327 0.230E-02 0.215E-02
DAV: 23 -0.383495920790E+03 -0.18518E-02 -0.96943E-05 309 0.238E-02 0.956E-03
DAV: 24 -0.383496838125E+03 -0.91734E-03 -0.37795E-05 282 0.150E-02 0.102E-02
DAV: 25 -0.383497454591E+03 -0.61647E-03 -0.18323E-05 219 0.993E-03 0.556E-03
DAV: 26 -0.383497836708E+03 -0.38212E-03 -0.18718E-05 246 0.979E-03 0.301E-03
DAV: 27 -0.383498013546E+03 -0.17684E-03 -0.45475E-06 228 0.476E-03 0.214E-03
DAV: 28 -0.383498135621E+03 -0.12208E-03 -0.38214E-06 219 0.402E-03 0.144E-03
DAV: 29 -0.383498213724E+03 -0.78102E-04 -0.24343E-06 210 0.294E-03 0.125E-03
DAV: 30 -0.383498250079E+03 -0.36355E-04 -0.16775E-06 210 0.290E-03 0.605E-04
DAV: 31 -0.383498263794E+03 -0.13716E-04 -0.72420E-07 228 0.164E-03 0.494E-04
DAV: 32 -0.383498271803E+03 -0.80084E-05 -0.39307E-07 219 0.120E-03
1 F= -.38349827E+03 E0= -.38351479E+03 d E =0.495540E-01