iterations/neb0_image07_iter3_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150746459556E+04 0.15075E+04 -0.43561E+04 322 0.697E+02
DAV: 2 0.249498843862E+03 -0.12580E+04 -0.11830E+04 428 0.164E+02
DAV: 3 -0.355705973733E+03 -0.60520E+03 -0.60123E+03 348 0.117E+02
DAV: 4 -0.432817554192E+03 -0.77112E+02 -0.76784E+02 316 0.531E+01
DAV: 5 -0.434627609874E+03 -0.18101E+01 -0.18070E+01 332 0.817E+00 0.426E+01
DAV: 6 -0.388691512594E+03 0.45936E+02 -0.14886E+02 324 0.285E+01 0.208E+01
DAV: 7 -0.385190152915E+03 0.35014E+01 -0.12791E+01 332 0.775E+00 0.104E+01
DAV: 8 -0.383775909699E+03 0.14142E+01 -0.26264E+00 332 0.394E+00 0.429E+00
DAV: 9 -0.383212970086E+03 0.56294E+00 -0.60778E-01 332 0.193E+00 0.104E+00
DAV: 10 -0.383157585475E+03 0.55385E-01 -0.28867E-01 340 0.112E+00 0.106E+00
DAV: 11 -0.383142081150E+03 0.15504E-01 -0.19206E-01 316 0.536E-01 0.705E-01
DAV: 12 -0.383127894253E+03 0.14187E-01 -0.22416E-02 308 0.336E-01 0.496E-01
DAV: 13 -0.383116738179E+03 0.11156E-01 -0.11976E-01 308 0.512E-01 0.664E-01
DAV: 14 -0.383110679007E+03 0.60592E-02 -0.45743E-02 324 0.276E-01 0.338E-01
DAV: 15 -0.383113854868E+03 -0.31759E-02 -0.67263E-03 300 0.246E-01 0.200E-01
DAV: 16 -0.383121957509E+03 -0.81026E-02 -0.35404E-03 324 0.179E-01 0.137E-01
DAV: 17 -0.383136908782E+03 -0.14951E-01 -0.51613E-03 276 0.177E-01 0.135E-01
DAV: 18 -0.383145291333E+03 -0.83826E-02 -0.30840E-03 308 0.157E-01 0.927E-02
DAV: 19 -0.383148358637E+03 -0.30673E-02 -0.81347E-04 340 0.791E-02 0.100E-01
DAV: 20 -0.383149541376E+03 -0.11827E-02 -0.14800E-04 332 0.355E-02 0.951E-02
DAV: 21 -0.383150234535E+03 -0.69316E-03 -0.63438E-05 324 0.233E-02 0.935E-02
DAV: 22 -0.383150147823E+03 0.86711E-04 -0.19797E-05 244 0.104E-02 0.924E-02
DAV: 23 -0.383150007292E+03 0.14053E-03 -0.24279E-05 252 0.157E-02 0.901E-02
DAV: 24 -0.383153838556E+03 -0.38313E-02 -0.14639E-03 388 0.118E-01 0.610E-02
DAV: 25 -0.383160395901E+03 -0.65573E-02 -0.10093E-03 308 0.609E-02 0.709E-02
DAV: 26 -0.383162475120E+03 -0.20792E-02 -0.24456E-04 372 0.578E-02 0.737E-02
DAV: 27 -0.383164426949E+03 -0.19518E-02 -0.24326E-04 332 0.496E-02 0.551E-02
DAV: 28 -0.383167425046E+03 -0.29981E-02 -0.29588E-04 316 0.526E-02 0.363E-02
DAV: 29 -0.383168204570E+03 -0.77952E-03 -0.16482E-04 316 0.279E-02 0.412E-02
DAV: 30 -0.383168671826E+03 -0.46726E-03 -0.21127E-05 244 0.150E-02 0.334E-02
DAV: 31 -0.383169319165E+03 -0.64734E-03 -0.64715E-05 292 0.265E-02 0.249E-02
DAV: 32 -0.383169455629E+03 -0.13646E-03 -0.48641E-05 340 0.202E-02 0.230E-02
DAV: 33 -0.383169484678E+03 -0.29050E-04 -0.13647E-05 268 0.992E-03 0.251E-02
DAV: 34 -0.383169475063E+03 0.96147E-05 -0.26130E-06 212 0.532E-03
1 F= -.38316948E+03 E0= -.38318322E+03 d E =0.412280E-01