 Energy and RMS force=     -337.0962202640        0.0000197606 after      9 LBFGS steps, step: 0.0004633959
 Energy for last cycle=                                -337.0962203882 hartree
 Energy and RMS force=     -337.0979809723        0.0026985019 after      0 LBFGS steps
 Energy and RMS force=     -337.0979873896        0.0026665261 after      1 LBFGS steps, step: 0.0001310744
 Energy and RMS force=     -337.0983777074        0.0028143158 after      2 LBFGS steps, step: 0.0105361723
 Energy and RMS force=     -337.1064030513        0.0060736292 after      3 LBFGS steps, step: 0.1329827012
 Energy and RMS force=     -337.1274345719        0.0097668003 after      4 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.1558004389        0.0117966592 after      5 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.1561984833        0.0117543306 after      6 LBFGS steps, step: 0.0025049010
 Energy and RMS force=     -337.1739881835        0.0118805667 after      7 LBFGS steps, step: 0.1139257444
 Energy and RMS force=     -337.1806156492        0.0118436817 after      8 LBFGS steps, step: 0.0417027406
 Energy and RMS force=     -337.2074710534        0.0113054783 after      9 LBFGS steps, step: 0.1724957439
 Energy and RMS force=     -337.2356483106        0.0097173552 after     10 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.2541086920        0.0106491726 after     11 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.2728343344        0.0065831384 after     12 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.2841478017        0.0055166144 after     13 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.2939237962        0.0048336464 after     14 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3019259135        0.0040579544 after     15 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3074378750        0.0038881508 after     16 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3113428073        0.0022739277 after     17 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3135828544        0.0022378766 after     18 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3147307431        0.0032145588 after     19 LBFGS steps, step: 0.2000000000
 Energy and RMS force=     -337.3158741748        0.0013501616 after     20 LBFGS steps, step: 0.0554712418
 Energy and RMS force=     -337.3163421703        0.0010095668 after     21 LBFGS steps, step: 0.0529570644
 Energy and RMS force=     -337.3167794854        0.0008958891 after     22 LBFGS steps, step: 0.0705977290
 Energy and RMS force=     -337.3168676776        0.0007391325 after     23 LBFGS steps, step: 0.0131486556
 Energy and RMS force=     -337.3171367313        0.0007823868 after     24 LBFGS steps, step: 0.0804138066
 Energy and RMS force=     -337.3172282835        0.0006804344 after     25 LBFGS steps, step: 0.0600085038
 Energy and RMS force=     -337.3172893639        0.0003433151 after     26 LBFGS steps, step: 0.0115511897
 Energy and RMS force=     -337.3173304627        0.0002214606 after     27 LBFGS steps, step: 0.0118144839
 Energy and RMS force=     -337.3173665091        0.0003172984 after     28 LBFGS steps, step: 0.0240142365
 Energy and RMS force=     -337.3173829008        0.0002056757 after     29 LBFGS steps, step: 0.0197292959
 Energy and RMS force=     -337.3173885836        0.0000923530 after     30 LBFGS steps, step: 0.0028273657
 Energy and RMS force=     -337.3173898813        0.0001112522 after     31 LBFGS steps, step: 0.0020699126
 Energy and RMS force=     -337.3173921667        0.0001516612 after     32 LBFGS steps, step: 0.0058325636
 Energy and RMS force=     -337.3173967792        0.0001037642 after     33 LBFGS steps, step: 0.0048324071
 Energy and RMS force=     -337.3173978087        0.0001924330 after     34 LBFGS steps, step: 0.0048609977
 Energy and RMS force=     -337.3173990547        0.0001404087 after     35 LBFGS steps, step: 0.0032886205
 Energy and RMS force=     -337.3173995544        0.0001144269 after     36 LBFGS steps, step: 0.0001668810
 Energy and RMS force=     -337.3173995608        0.0000924635 after     37 LBFGS steps, step: 0.0000000007
 Energy and RMS force=     -337.3173996219        0.0000869122 after     38 LBFGS steps, step: 0.0000339669
 Energy and RMS force=     -337.3173998213        0.0000720187 after     39 LBFGS steps, step: 0.0002288148
 Energy and RMS force=     -337.3174003001        0.0000870800 after     40 LBFGS steps, step: 0.0011536656
 Energy and RMS force=     -337.3174004185        0.0000796027 after     41 LBFGS steps, step: 0.0006525827
 Energy and RMS force=     -337.3174005464        0.0001307885 after     42 LBFGS steps, step: 0.0005744560
 Energy and RMS force=     -337.3174005668        0.0000707546 after     43 LBFGS steps, step: 0.0000009693
 Energy and RMS force=     -337.3174006934        0.0000669728 after     44 LBFGS steps, step: 0.0001494692
 Energy and RMS force=     -337.3174011564        0.0001061232 after     45 LBFGS steps, step: 0.0014831437
 Energy and RMS force=     -337.3174011747        0.0000793965 after     46 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174012208        0.0000789762 after     47 LBFGS steps, step: 0.0000001135
 Energy and RMS force=     -337.3174012635        0.0000779318 after     48 LBFGS steps, step: 0.0000016092
 Energy and RMS force=     -337.3174013540        0.0000684832 after     49 LBFGS steps, step: 0.0000531547
 Energy and RMS force=     -337.3174016046        0.0000474232 after     50 LBFGS steps, step: 0.0002965659
 Energy and RMS force=     -337.3174018073        0.0000298664 after     51 LBFGS steps, step: 0.0002883175
 Energy and RMS force=     -337.3174019661        0.0000715122 after     52 LBFGS steps, step: 0.0000604505
 Energy and RMS force=     -337.3174019942        0.0000609950 after     53 LBFGS steps, step: 0.0000000921
 Energy and RMS force=     -337.3174020265        0.0000579998 after     54 LBFGS steps, step: 0.0000003680
 Energy and RMS force=     -337.3174020491        0.0000539073 after     55 LBFGS steps, step: 0.0000027344
 Energy and RMS force=     -337.3174020855        0.0000477557 after     56 LBFGS steps, step: 0.0000294344
 Energy and RMS force=     -337.3174022132        0.0000384809 after     57 LBFGS steps, step: 0.0002071171
 Energy and RMS force=     -337.3174022539        0.0000916490 after     58 LBFGS steps, step: 0.0001098950
 Energy and RMS force=     -337.3174023109        0.0000702671 after     59 LBFGS steps, step: 0.0000001512
 Energy and RMS force=     -337.3174023138        0.0000674383 after     60 LBFGS steps, step: 0.0000001061
 Energy and RMS force=     -337.3174023720        0.0000547504 after     61 LBFGS steps, step: 0.0000000056
 Energy and RMS force=     -337.3174023831        0.0000493569 after     62 LBFGS steps, step: 0.0000000061
 Energy and RMS force=     -337.3174023907        0.0000485225 after     63 LBFGS steps, step: 0.0000000290
 Energy and RMS force=     -337.3174023982        0.0000472749 after     64 LBFGS steps, step: 0.0000016475
 Energy and RMS force=     -337.3174024439        0.0000387127 after     65 LBFGS steps, step: 0.0000699053
 Energy and RMS force=     -337.3174025454        0.0000444116 after     66 LBFGS steps, step: 0.0004200318
 Energy and RMS force=     -337.3174032524        0.0001398857 after     67 LBFGS steps, step: 0.0036164372
 Energy and RMS force=     -337.3174036646        0.0000801067 after     68 LBFGS steps, step: 0.0002750184
 Energy and RMS force=     -337.3174038503        0.0000462028 after     69 LBFGS steps, step: 0.0000416166
 Energy and RMS force=     -337.3174038974        0.0000360081 after     70 LBFGS steps, step: 0.0000796458
 Energy and RMS force=     -337.3174039008        0.0000466195 after     71 LBFGS steps, step: 0.0002472756
 Energy and RMS force=     -337.3174039879        0.0000485842 after     72 LBFGS steps, step: 0.0000002754
 Energy and RMS force=     -337.3174040052        0.0000541814 after     73 LBFGS steps, step: 0.0000602820
 Energy and RMS force=     -337.3174040231        0.0000403753 after     74 LBFGS steps, step: 0.0000000528
 Energy and RMS force=     -337.3174040244        0.0000369865 after     75 LBFGS steps, step: 0.0000000686
 Energy and RMS force=     -337.3174040317        0.0000352045 after     76 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040334        0.0000343191 after     77 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040343        0.0000341720 after     78 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040350        0.0000340674 after     79 LBFGS steps, step: 0.0000000193
 Energy and RMS force=     -337.3174040353        0.0000341152 after     80 LBFGS steps, step: 0.0000000209
 Energy and RMS force=     -337.3174040370        0.0000341722 after     81 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040377        0.0000340166 after     82 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040381        0.0000340070 after     83 LBFGS steps, step: 0.0000000004
 Energy and RMS force=     -337.3174040384        0.0000340299 after     84 LBFGS steps, step: 0.0000000018
 Energy and RMS force=     -337.3174040384        0.0000340337 after     85 LBFGS steps, step: 0.0000000208
 Energy and RMS force=     -337.3174040395        0.0000340839 after     86 LBFGS steps, step: 0.0000000001
 Energy and RMS force=     -337.3174040399        0.0000340174 after     87 LBFGS steps, step: 0.0000000014
 Energy and RMS force=     -337.3174040402        0.0000340129 after     88 LBFGS steps, step: 0.0000000122
 Energy and RMS force=     -337.3174040404        0.0000340102 after     89 LBFGS steps, step: 0.0000000422
 Energy and RMS force=     -337.3174040409        0.0000384725 after     90 LBFGS steps, step: 0.0000000009
 Energy and RMS force=     -337.3174040411        0.0000348658 after     91 LBFGS steps, step: 0.0000000266
 Energy and RMS force=     -337.3174040424        0.0000357748 after     92 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040427        0.0000351791 after     93 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040427        0.0000351198 after     94 LBFGS steps, step: 0.0000000006
 Energy and RMS force=     -337.3174040430        0.0000350760 after     95 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040432        0.0000346407 after     96 LBFGS steps, step: 0.0000000146
 Energy and RMS force=     -337.3174040438        0.0000342130 after     97 LBFGS steps, step: 0.0000012615
 Energy and RMS force=     -337.3174040789        0.0000347673 after     98 LBFGS steps, step: 0.0001099526
 Energy and RMS force=     -337.3174040816        0.0000311006 after     99 LBFGS steps, step: 0.0000000218
 Energy and RMS force=     -337.3174040903        0.0000309697 after    100 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040911        0.0000317453 after    101 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040911        0.0000323163 after    102 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040916        0.0000320167 after    103 LBFGS steps, step: 0.0000000000
 Energy and RMS force=     -337.3174040921        0.0000324663 after    104 LBFGS steps, step: 0.0000009185
 Energy and RMS force=     -337.3174040921        0.0000325468 after    105 LBFGS steps, step: 0.0000000190
 Energy and RMS force=     -337.3174040922        0.0000323389 after    106 LBFGS steps, step: 0.0000003050
 Energy and RMS force=     -337.3174041046        0.0000288180 after    107 LBFGS steps, step: 0.0000302626
 Energy and RMS force=     -337.3174041592        0.0000242983 after    108 LBFGS steps, step: 0.0001722895
 Energy and RMS force=     -337.3174042014        0.0000172108 after    109 LBFGS steps, step: 0.0001490219
