[QE-users] apply constant velocity on the atoms

Lu Hailin 415005271 at qq.com
Wed Mar 6 03:22:57 CET 2019


Dear all,


When I apply constant velocity on the atoms through the code ion_velocities = 'from_input', which works only if restart_mode='from_scratch', tested only with electrons_dynamics='cg',how can I get the information  from electronic ground state .
  

The task was completed by using cp.x in Quantum Espresso 6.1. version .


I have attached my concerned file below.Any help would be appreciated! 



INPUT to cp.x:
 &control
    calculation  = 'cp',
    title = ' MD Simulation' ,
    restart_mode = 'from_scratch',
    ndr =90,ndw =91,
    nstep  = 5,iprint = 1,isave  = 1, 
    dt = 5.D0,
    tstress = .TRUE.,
    tprnfor = .TRUE.,
    prefix = 'Fe2Gr',
    pseudo_dir = '/public/---/pseudo/ ', 
    outdir = '/public/---/tmp/'
    etot_conv_thr = 1.d-3,
    ekin_conv_thr = 1.d-3,
    forc_conv_thr = 1.d-3
/
&system
 ibrav = 0,
 nat = 184, ntyp = 2,nspin=2,
 nr1b = 24,nr2b = 24,nr3b = 24,
 ecutwfc = 30.0, ecutrho = 240.0,
 tot_magnetization = 2.0,

 vdw_corr='DFT-D',     
 london_s6 = 0.75

/
&electrons
 electron_dynamics = 'verlet',
 electron_velocities='zero',
 emass = 300, emass_cutoff = 2.5,
 ortho_max=100,
 orthogonalization =  'Gram-Schmidt'

/
&ions
  ion_dynamics='verlet',
  ion_velocities = 'from_input',
  ion_temperature='nose',
  tempw=300, fnosep=2.,
  ion_radius(1) = 0.7,
  ion_radius(2) = 0.4,

/
CELL_PARAMETERS  bohr
       16.25013296    0.00000000    0.00000000
       -0.00000000   38.30193071    0.00000000
        0.00000000    0.00000000   56.69178399

ATOMIC_SPECIES
  Fe  55.847  Fe.pbe-n-rrkjus_psl.0.2.4.UPF
  C   12.0107 C.pbe-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS  bohr
   Fe      0.54167109818867E+01     0.19150965354250E+02     0.23810549274359E+01  0  0  0
   Fe      0.81250664809551E+01     0.22981158425100E+02     0.23810549274359E+01  0  0  0
   Fe      0.13541777462842E+02     0.76603861416998E+01     0.23810549274359E+01  0  0  0
   Fe      0.13541777462842E+02     0.15320772283400E+02     0.23810549274359E+01  0  0  0
   Fe      0.11375093073337E-13     0.11490579212550E+02     0.23810549274359E+01  0  0  0
   Fe      0.11375093073337E-13     0.19150965354250E+02     0.23810549274359E+01  0  0  0
   Fe      0.14625119665719E-13     0.26811351495949E+02     0.23810549274359E+01  0  0  0
   Fe      0.54167109818867E+01     0.11490579212550E+02     0.23810549274359E+01  0  0  0
   Fe      0.81250664809551E+01     0.76603861416998E+01     0.23810549274359E+01  0  0  0
   Fe      0.81250664809551E+01     0.15320772283400E+02     0.23810549274359E+01  0  0  0
   Fe      0.10833421980024E+02     0.38301930708499E+01     0.23810549274359E+01  0  0  0
   Fe      0.10833421980024E+02     0.11490579212550E+02     0.23810549274359E+01  0  0  0
   Fe      0.10833421980024E+02     0.19150965354250E+02     0.23810549274359E+01  0  0  0
   Fe      0.10833421980024E+02     0.26811351495949E+02     0.23810549274359E+01  0  0  0
   Fe      0.10833421980024E+02     0.34471737637649E+02     0.23810549274359E+01  0  0  0
   Fe      0.13541777462842E+02     0.25236579719175E-13     0.23810549274359E+01  0  0  0
   Fe      0.13541777462842E+02     0.22981158425100E+02     0.23810549274359E+01  0  0  0
   Fe      0.13541777462842E+02     0.30641544566799E+02     0.23810549274359E+01  0  0  0
   Fe      0.65000531847641E-14     0.38301930708499E+01     0.23810549274359E+01  0  0  0
   Fe      0.17875146258101E-13     0.34471737637649E+02     0.23810549274359E+01  0  0  0
   Fe      0.27083554990684E+01     0.26496397139839E-13     0.23810549274359E+01  0  0  0
   Fe      0.27083554990684E+01     0.76603861416998E+01     0.23810549274359E+01  0  0  0
   Fe      0.27083554990684E+01     0.15320772283400E+02     0.23810549274359E+01  0  0  0
   Fe      0.27083554990684E+01     0.22981158425100E+02     0.23810549274359E+01  0  0  0
   Fe      0.27083554990684E+01     0.30641544566799E+02     0.23810549274359E+01  0  0  0
   Fe      0.54167109818867E+01     0.38301930708499E+01     0.23810549274359E+01  0  0  0
   Fe      0.54167109818867E+01     0.26811351495949E+02     0.23810549274359E+01  0  0  0
   Fe      0.54167109818867E+01     0.34471737637649E+02     0.23810549274359E+01  0  0  0
   Fe      0.81250664809551E+01     0.25866488429507E-13     0.23810549274359E+01  0  0  0
   Fe      0.81250664809551E+01     0.30641544566799E+02     0.23810549274359E+01  0  0  0
   Fe      0.13750795437537E-01    -0.12098642632252E-02     0.63149610015115E+01
   Fe     -0.19547499799986E-01     0.76623507278856E+01     0.63258219897977E+01
   Fe     -0.51769849190277E-02     0.15312702845494E+02     0.63293977649138E+01
   Fe     -0.32574432478442E-02     0.23003524341631E+02     0.63267231562417E+01
   Fe     -0.83701738092063E-02     0.30640355411879E+02     0.63253281973194E+01
   Fe      0.27063376923080E+01     0.38409947337069E+01     0.63278467881295E+01
   Fe      0.27277679677606E+01     0.11492343227877E+02     0.63240509767253E+01
   Fe      0.27049121490783E+01     0.19136960775583E+02     0.63185426549213E+01
   Fe      0.27320341104738E+01     0.26816675319763E+02     0.63336695582224E+01
   Fe      0.27141070191418E+01     0.34470664516090E+02     0.63271380586426E+01
   Fe      0.53957082008770E+01    -0.49301355014890E-02     0.63284996736419E+01
   Fe      0.54235241290317E+01     0.76578056166294E+01     0.63410298707119E+01
   Fe      0.54151611059891E+01     0.15352241111972E+02     0.63378418815389E+01
   Fe      0.54183600822417E+01     0.22970123703429E+02     0.63170000142505E+01
   Fe      0.54186588741839E+01     0.30644891766993E+02     0.63336380851195E+01
   Fe      0.81248504107896E+01     0.38371593918357E+01     0.63171227079051E+01
   Fe      0.81077716390954E+01     0.11491057243746E+02     0.63320118241013E+01
   Fe      0.81250784868485E+01     0.19135362857455E+02     0.63279684710675E+01
   Fe      0.80948715317874E+01     0.26824537744332E+02     0.63318212571992E+01
   Fe      0.81260996531515E+01     0.34456133498005E+02     0.63297414383911E+01
   Fe      0.10823793334354E+02    -0.32638327709405E-02     0.63314992565821E+01
   Fe      0.10857748622539E+02     0.76582260152606E+01     0.63353903942117E+01
   Fe      0.10831316617645E+02     0.15312885949534E+02     0.63263289481644E+01
   Fe      0.10841677668181E+02     0.22990409825147E+02     0.63286149147495E+01
   Fe      0.10862957995957E+02     0.30641981825295E+02     0.63265223479328E+01
   Fe      0.13533890446582E+02     0.38109384174978E+01     0.63361415394860E+01
   Fe      0.13543749822002E+02     0.11503384712119E+02     0.63329844631440E+01
   Fe      0.13532239877566E+02     0.19146063631765E+02     0.63285371793950E+01
   Fe      0.13550634038503E+02     0.26790231935025E+02     0.63383540528378E+01
   Fe      0.13544440152068E+02     0.34498663190019E+02     0.63332569833337E+01
   Fe     -0.25562091725419E-02     0.12942192343023E-01     0.15144773896111E+02
   Fe     -0.11570422004857E-01     0.76613935143018E+01     0.15155319517964E+02
   Fe     -0.86798089828800E-02     0.15317748521313E+02     0.15134423059140E+02
   Fe     -0.15733176565741E-03     0.22988602915906E+02     0.15143617564967E+02
   Fe     -0.17794306176551E-01     0.30617074707945E+02     0.15146615326446E+02
   Fe      0.27006282450837E+01     0.38366343796542E+01     0.15141685370166E+02
   Fe      0.27216315200925E+01     0.11479346963709E+02     0.15154658508400E+02
   Fe      0.27011289878676E+01     0.19155017697696E+02     0.15141958326169E+02
   Fe      0.27205601841457E+01     0.26800067749319E+02     0.15153894989208E+02
   Fe      0.27149623226125E+01     0.34461741856420E+02     0.15155447347627E+02
   Fe      0.54144764242373E+01     0.94852572351545E-02     0.15140167575114E+02
   Fe      0.54134004965051E+01     0.76568776638516E+01     0.15155001116704E+02
   Fe      0.54206764792369E+01     0.15334001264465E+02     0.15165223053251E+02
   Fe      0.54091808258485E+01     0.22955737505755E+02     0.15145469203621E+02
   Fe      0.54174646230913E+01     0.30657991535413E+02     0.15146510283644E+02
   Fe      0.81241436986682E+01     0.38475408629661E+01     0.15153926468852E+02
   Fe      0.81151220360516E+01     0.11482731436928E+02     0.15148171453035E+02
   Fe      0.81154127164912E+01     0.19149509093049E+02     0.15142408566047E+02
   Fe      0.81288891605756E+01     0.26815486324270E+02     0.15145458201839E+02
   Fe      0.81297501470661E+01     0.34457367385645E+02     0.15146202591884E+02
   Fe      0.10839224884822E+02     0.70252850882902E-02     0.15135052011747E+02
   Fe      0.10831485395120E+02     0.76609710591395E+01     0.15158954583398E+02
   Fe      0.10836669842135E+02     0.15332536892004E+02     0.15153633212750E+02
   Fe      0.10825269385791E+02     0.22985573017197E+02     0.15154640632905E+02
   Fe      0.10833667583542E+02     0.30644673627070E+02     0.15151952166099E+02
   Fe      0.13548427658156E+02     0.38065964537576E+01     0.15156303231290E+02
   Fe      0.13548900405352E+02     0.11504716728356E+02     0.15138355047877E+02
   Fe      0.13554457366302E+02     0.19136289456216E+02     0.15149583141384E+02
   Fe      0.13540139327701E+02     0.26812655131356E+02     0.15152814514559E+02
   Fe      0.13532907642533E+02     0.34486191216781E+02     0.15162774537262E+02
   Fe     -0.60156386832464E-02     0.38488562256065E+01     0.18918208636591E+02  0  0  1
   Fe      0.33667497850858E-03     0.11479113349215E+02     0.18925039461741E+02  0  0  1
   Fe      0.19690950331641E-02     0.19162087292173E+02     0.18924639581097E+02  0  0  1
   Fe     -0.56235742807865E-02     0.26799137324018E+02     0.18932124553182E+02  0  0  1
   Fe      0.58672811544350E-02     0.34480445371285E+02     0.18910061985152E+02  0  0  1
   Fe      0.27121588400541E+01    -0.13563807568613E-01     0.18929347939359E+02  0  0  1
   Fe      0.27106253300361E+01     0.76705876206557E+01     0.18923650942960E+02  0  0  1
   Fe      0.27269515954031E+01     0.15324552848776E+02     0.18929037038650E+02  0  0  1
   Fe      0.27093697317144E+01     0.22990114370464E+02     0.18920137441892E+02  0  0  1
   Fe      0.27140882026517E+01     0.30667736282326E+02     0.18928888785894E+02  0  0  1
   Fe      0.54335915833080E+01     0.38223032450704E+01     0.18931121425968E+02  0  0  1
   Fe      0.54146088635303E+01     0.11488204299643E+02     0.18912385689430E+02  0  0  1
   Fe      0.54196498502677E+01     0.19143763295880E+02     0.18937722813721E+02  0  0  1
   Fe      0.54024583814155E+01     0.26805444229375E+02     0.18922906789010E+02  0  0  1
   Fe      0.54132027282887E+01     0.34474804851500E+02     0.18932157302471E+02  0  0  1
   Fe      0.81240356044101E+01     0.81371535679579E-02     0.18937573965276E+02  0  0  1
   Fe      0.81241298776693E+01     0.76517048818739E+01     0.18923102388707E+02  0  0  1
   Fe      0.81384505409757E+01     0.22980763685070E+02     0.18929781708616E+02  0  0  1
   Fe      0.81174123359001E+01     0.15316870732971E+02     0.18910910664236E+02  0  0  1
   Fe      0.81279144235674E+01     0.30643344580977E+02     0.18920970132398E+02  0  0  1
   Fe      0.10824344018942E+02     0.38357948397959E+01     0.18928372210228E+02  0  0  1
   Fe      0.10826392777889E+02     0.11474780414225E+02     0.18936351885628E+02  0  0  1
   Fe      0.10821531177695E+02     0.19155521386875E+02     0.18937809987764E+02  0  0  1
   Fe      0.10849689776438E+02     0.26808105164019E+02     0.18898902695920E+02  0  0  1
   Fe      0.10832419629446E+02     0.34477259640968E+02     0.18916470401234E+02  0  0  1
   Fe      0.13540741159875E+02    -0.21379647498704E-01     0.18931622107710E+02  0  0  1
   Fe      0.13545925286546E+02     0.76595905957947E+01     0.18907797012202E+02  0  0  1
   Fe      0.13545305720604E+02     0.15318613579984E+02     0.18910737949199E+02  0  0  1
   Fe      0.13543306953005E+02     0.22992032770812E+02     0.18929989731574E+02  0  0  1
   Fe      0.13543784894567E+02     0.30633336588615E+02     0.18927966111824E+02  0  0  1
   C      -0.55175856379142E-02     0.20079864877519E-04     0.10455145207881E+02
   C       0.52416118024736E-02     0.47941839770813E+01     0.10399668905283E+02
   C      -0.57423894105246E-02     0.95609772569743E+01     0.10434226254773E+02
   C       0.72663046924138E-02     0.19148942812661E+02     0.10456284773271E+02
   C      -0.77618185757878E-02     0.23921013622567E+02     0.10433644675589E+02
   C       0.74631698634160E-02     0.33508340617058E+02     0.10390599787814E+02
   C      -0.46789723869826E-02     0.14374293368001E+02     0.10394187831623E+02
   C      -0.63256862949437E-02     0.28739731290060E+02     0.10436129572829E+02
   C       0.27067763271205E+01    -0.22851444881599E-02     0.10450388593952E+02
   C       0.27167479227113E+01     0.47727816412261E+01     0.10394628614570E+02
   C       0.27126727685108E+01     0.95948510256787E+01     0.10393662176154E+02
   C       0.27107313696894E+01     0.14355958268020E+02     0.10418892551802E+02
   C       0.27192000096722E+01     0.19150638496113E+02     0.10414538723230E+02
   C       0.27046063544184E+01     0.23944034043365E+02     0.10442907944055E+02
   C       0.27101615805212E+01     0.28707357011210E+02     0.10383055736036E+02
   C       0.27188357031525E+01     0.33525698318907E+02     0.10413572356744E+02
   C       0.40542688451217E+01     0.23821913071775E+01     0.10359809434965E+02
   C       0.40761532947832E+01     0.71906186759150E+01     0.10424859589244E+02
   C       0.40427447697765E+01     0.11972311458968E+02     0.10418461243819E+02
   C       0.40683294060908E+01     0.16737001373264E+02     0.10423071167002E+02
   C       0.40672413223417E+01     0.21561415594405E+02     0.10431201933289E+02
   C       0.40389250716232E+01     0.26326256990717E+02     0.10397647208264E+02
   C       0.40792114470501E+01     0.31108492554386E+02     0.10445455097041E+02
   C       0.40588481549308E+01     0.35918013113883E+02     0.10404764818663E+02
   C       0.67809392957212E+01     0.23838420509797E+01     0.10419018086304E+02
   C       0.67593139706689E+01     0.71900226189442E+01     0.10441163852725E+02
   C       0.67947528126029E+01     0.11973451041621E+02     0.10402540646605E+02
   C       0.67660726149078E+01     0.16741842393453E+02     0.10414760623408E+02
   C       0.67666287894914E+01     0.21559995088766E+02     0.10404192620511E+02
   C       0.67913572493205E+01     0.26331207688153E+02     0.10445169990818E+02
   C       0.67596491922679E+01     0.31113656167357E+02     0.10430603626565E+02
   C       0.67843938356313E+01     0.35919630469835E+02     0.10435407562506E+02
   C       0.81344911405508E+01     0.31778950145729E-02     0.10433825231503E+02
   C       0.81184961898723E+01     0.47734239239450E+01     0.10427560840766E+02
   C       0.81231163508205E+01     0.95921977118428E+01     0.10408867178929E+02
   C       0.81307872692506E+01     0.14354728914551E+02     0.10408832378950E+02
   C       0.81122682443934E+01     0.19149747650718E+02     0.10452359879987E+02
   C       0.81272829386502E+01     0.23946740350416E+02     0.10419101445201E+02
   C       0.81213163100380E+01     0.28713338772062E+02     0.10411467047969E+02
   C       0.81213771631624E+01     0.33528889202204E+02     0.10459094442867E+02
   C       0.10842880642801E+02     0.64322565758709E-03     0.10478157218494E+02
   C       0.10833809512329E+02     0.48003107446351E+01     0.10387698121062E+02
   C       0.10841602165792E+02     0.95607675023405E+01     0.10409608908060E+02
   C       0.10843821566028E+02     0.14374586412281E+02     0.10404292815358E+02
   C       0.10827771692118E+02     0.19149700590792E+02     0.10444283351285E+02
   C       0.10840503565734E+02     0.23925547346953E+02     0.10410053927788E+02
   C       0.10835330487189E+02     0.28744945419574E+02     0.10429812548389E+02
   C       0.10830653050099E+02     0.33505509336782E+02     0.10389070584346E+02
   C       0.12174893546955E+02     0.16763241799595E+02     0.10375110076584E+02
   C       0.12201425210154E+02     0.26342791959879E+02     0.10384678333122E+02
   C       0.12195369764753E+02     0.24113990282436E+01     0.10410207555232E+02
   C       0.12170869733929E+02     0.71812556212786E+01     0.10422461141936E+02
   C       0.12205968511506E+02     0.11961218245880E+02     0.10445602377698E+02
   C       0.12173246977716E+02     0.21535069532653E+02     0.10386796957916E+02
   C       0.12169806824906E+02     0.31119716304329E+02     0.10447878777201E+02
   C       0.12195490945747E+02     0.35892316261971E+02     0.10391730959783E+02
   C       0.14920837681284E+02     0.71798524143454E+01     0.10439195868697E+02
   C       0.14910546822858E+02     0.16762122488878E+02     0.10395915861907E+02
   C       0.14906883525500E+02     0.21532435468693E+02     0.10424482596754E+02
   C       0.14879939324124E+02     0.26340596300017E+02     0.10394846949270E+02
   C       0.14914531887059E+02     0.31119495841757E+02     0.10456842874649E+02
   C       0.14892090291813E+02     0.24123301170036E+01     0.10422669599376E+02
   C       0.14883309107294E+02     0.11958830663222E+02     0.10449591276866E+02
   C       0.14892141779795E+02     0.35887386932259E+02     0.10392692201967E+02

 
ATOMIC_VELOCITIES
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
Fe  0  0.91d-3  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0

ATOMIC_FORCES
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  0
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
Fe  0  0  -7.04d-4
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0
C  0  0  0




Thank you!
Best regards,



------

LU Hailin, Graduate Student

State Key Laboratory of Mechanical Transmission, Chongqing University

Chongqing 400044, China

Tel: (+86) 18362360286
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