[Pw_forum] regarding convergence of system

[Amita Sihag]

Dear all
I am trying to converge a supercell(2*2*1) of LaCoO3. The system is not
converged even after 500 iterations and 6 days. It is not achieving
convergence after so long.Please suggest the necessary. It will be a great
help.I am posting the input file of system

&CONTROL
                       title = 'LaCoO3' ,
                      prefix = 'LaCoO3'
                 calculation = 'vc-relax' ,
                 max_seconds = 1.0d+7 ,
                restart_mode = 'from_scratch'
                      outdir =
'/home/SSM_grp/amitasihag/LaCoO3/221/nonmagnetic/out' ,
                  pseudo_dir = './' ,
/
&SYSTEM
                       ibrav = 0,
                    celldm(1)= 1.89 ,
                         nat = 40,
                        ntyp = 3,
                     ecutwfc = 30 ,
                     ecutrho = 300 ,
                 occupations = 'smearing' ,
                    smearing = 'gaussian' ,
                     degauss = 0.020
/
&ELECTRONS
            electron_maxstep = 1500 ,
                    conv_thr = 1.0d-4 ,
                 mixing_mode = 'plain' ,
                 mixing_beta = 0.7 ,
             diagonalization = 'david' ,

/
&IONS
/
&CELL
/
CELL_PARAMETERS alat
  11.145365372  -0.712543576  -0.511263360
   4.817125474  10.076876074  -0.512591875
   2.406770662   1.411311463   4.846536018

ATOMIC_SPECIES
   La   138.91 La.pbe-nsp-van.UPF
   Co   58.933 Co.pbe-sp-van.UPF
   O    15.999 O.pbe-van_ak.UPF
ATOMIC_POSITIONS alat
La       2.570235772   1.475769989   1.203980885
La       5.043826568   6.594009649   0.701404953
La       8.208023646   1.169121254   0.739924489
La      10.540444808   6.193518050   0.672086391
La       7.828816665   4.582125889   3.150594320
La      10.161237827   9.606522686   3.082756222
La      13.325435071   4.181634280   3.121275751
La      15.799025866   9.299873941   2.618699819
Co       0.000000000   0.000000000   0.000000000
Co       2.408562737   5.038438038  -0.256295937
Co       5.572682687  -0.356271788  -0.255631680
Co       7.981245423   4.682166250  -0.511927617
Co       5.193223752   3.052636419   2.165050529
Co       7.602625127   8.080210085   1.913608150
Co      10.766636570   2.695433772   1.909072328
Co      13.176037945   7.723007437   1.657629949
O        6.992683749   5.929956840   3.249477607
O        9.402656127  10.967922022   2.996121010
O       12.568245646   5.570689038   2.997441518
O       14.982978449  10.597343273   2.736823953
O        3.386282547   0.178300388   1.085856789
O        5.801015207   5.204954323   0.825239239
O        8.966605535  -0.192278403   0.826559701
O       11.376577768   4.845686479   0.573203119
O        7.789346679   3.623570534   4.584043374
O       10.199663612   8.717912060   4.247900859
O       13.363561035   3.352073083   4.210598832
O       15.771782625   8.288580019   4.090623371
O        2.597478896   2.487063627  -0.267942599
O        5.005700775   7.423571164  -0.387918090
O        8.169597743   2.057731597  -0.425220079
O       10.579914964   7.152073724  -0.761362624
O        8.554085222   4.145085667   2.016871101
O       11.033664829   9.142012963   1.654431985
O       14.196470737   3.749360741   1.656499814
O       16.536162443   8.824852211   1.505548708
O        1.833099424   1.950791650   2.317132061
O        4.172791165   7.026283196   2.166180951
O        7.335596976   1.633630902   2.168248787
O        9.815176618   6.630558274   1.805809668
K_POINTS automatic
2 2 4  0 0 0

Thank you
Amita
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