&CPMD
  DUMMY
  OPTIMIZE WAVEFUNCTION
  ODIIS 
  5
  CONVERGENCE ORBITAL
  3.0D-5
  MAXSTEP
  100
  STORE
  50
  STRUCTURE BONDS 
&END

&DFT
  NEWCODE
  FUNCTIONAL LDA 
  GC-CUTOFF
  0.5E-06
&END

&SYSTEM
  SYMMETRY
  2
  CELL
  45.00000 1.0  1.0  0  0  0
  CUTOFF
  30.0
&END

&ATOMS
*C_MT_LDA   KLEINMAN BYLANDER                    
   LMAX=P
   60
     7.079059124         1.614745790         2.371874024    
     7.291341476       -0.9747445074         2.448064676    
     7.540051645        -1.872183004       -0.1709107649    
     7.034095764         2.402780830       -0.2797088381    
     6.958043209        0.2075976813        -1.823043249    
     5.315388602         4.404120225       -0.5247704290    
     5.079123978         2.902632333         3.615403309    
     4.390977742         4.990677604         2.001970196    
     3.131706351         1.536777560         4.908436906    
     5.399812301        -2.440153555         3.708000447    
     3.258164857        -1.234830883         4.876876204    
     6.141339148        -4.072469730       -0.3342129002    
     4.951672001        -4.571497814         2.122894024    
     4.590244628        -4.504290685        -2.431629039    
     4.960962346       -0.3360611700E-02    -3.652373615    
     3.872166853        -2.528814263        -4.048261122    
     3.624856727         4.485772767        -2.635242247    
     3.414593738         2.202971222        -4.174980671    
     1.467372010         6.098518286        -2.351702981    
     2.078216822         6.166723412         2.263792528    
    0.8586275497         7.077961210        0.4652776730E-01
    0.6555523185         2.794248669         5.120206841    
    0.1899278252         5.142770872         3.901056387    
    -1.500571618         1.302871366         5.650541374    
    0.8984039332        -2.682384820         4.988978776    
    -1.349869929        -1.371767746         5.708382029    
     2.608790864        -5.750562431         1.935386134    
    0.5414240933        -4.939280938         3.502280199    
     1.173837208        -6.824779379        -2.886210296    
     1.983780752        -6.251808638       -0.6358530856    
     1.426923828        -2.857455076        -5.264774809    
   -0.8285474600E-02    -5.072418242        -4.567811556    
     1.052011511         1.791140091        -5.422771145    
    0.8505784130E-01   -0.6677077400        -5.971806716    
   -0.9382371672         5.566263525        -3.579998869    
    -1.093819734         3.478755114        -5.138233953    
    -1.835172039         6.946437012        0.4202910324    
    -2.267447988         5.672791416         2.722313283    
    -2.999763987         6.113210295        -1.838211675    
    -4.034118517         1.965502510         4.715221376    
    -4.346920324         3.960681055         2.936880520    
    -3.817835861        -2.338467187         5.096183492    
    -5.448033956       -0.2756340181         4.489314168    
    -1.948235012        -5.643819713         2.525180278    
    -1.959243885        -6.590729327        0.4334400090E-01
    -4.124506209        -4.277219733         3.324156220    
    -2.636542176        -4.836136332        -4.134720118    
    -3.649965711        -5.711636329        -1.752525032    
    -2.656650846       -0.5516235407        -5.847134172    
    -3.384349762         1.990319762        -5.252280617    
    -3.986096666        -2.580311674        -4.824533946    
    -5.057372014         4.453207677        -1.688693391    
    -5.858573579         3.476471996        0.7314568831    
    -5.335448221         2.456642519        -3.521758196    
    -6.743425850       -0.8684546502         2.198385908    
    -6.016784578        -3.419388052         1.491604719    
    -5.684718886        -4.024714729        -1.043919605    
    -5.943613597        -2.118639603        -2.974029379    
    -6.954513147         1.000555315        0.3280386311    
    -6.579726596        0.3527024737        -2.296835887    
&END
