[Pw_forum] Error in routine ggen (72450):

Omar FAYE omsofaye at yahoo.fr
Tue Jul 18 15:19:31 CEST 2017


Dear respected users, I am unning a vc-relax, but i am get an error message which is Error in routine ggen (72450):  too many g-vectors. Does someone know what is the problem.  My input is the pasted below. Thank you in advance for any answer regarding my request
&CONTROL    calculation='vc-relax',    wfcdir='tmp',    pseudo_dir='/home/ofaye/Pseudo/pseudo',    prefix='polymer',    tstress=.true.,    outdir='./tmp',    forc_conv_thr = 2.5711e-07,    wf_collect = .TRUE.   tprnfor = .TRUE.,   etot_conv_thr = 1.0e-6,/ &SYSTEM   ibrav=0,   nat=43,   ntyp=3,   ecutwfc=20,   ecutrho=300,   nspin=1,
 / &ELECTRONS    conv_thr = 1e-08,    mixing_mode = 'plain'    mixing_beta = 0.7  diagonalization='cg',/&ions/&CELLcell_dynamics = 'bfgs',cell_factor=2.8press = 200,/ATOMIC_SPECIES C  12.0107  C.pw91-van_ak.UPF H  1.00794  H.pw91-van_ak.UPF O  15.999   O.pw91-van_ak.UPFATOMIC_POSITIONS {crystal}  H  -0.0962887778705372  -0.1089543492157100   0.3835471630840610  H  -0.0622003400767410   0.0594568525983704   0.4843002970029710  H  -0.0553864163833346   0.2066767843332010   0.2808021440235590  H  -0.2154057820633580  -0.0965910153820818   0.1635366182462510  H   0.0994227544777336   0.1078350307924980   0.0932685924004024  H   0.0394899298636431  -0.1915388952394240   0.2363181410232310  H   0.3313599369554510   0.0347956843786054   0.1734759194661090  H   0.3048235417641210  -0.1490424271049960   0.0973026833024454  H  -0.2957658974532340   0.1653142658519840   0.4177572914118310  H  -0.2253222217776890   0.2080936635167930   0.1107121403266120  H   0.2933030705118320  -0.0908206328897151   0.3805195455088620  H   0.0962887778705372  -0.1089543492157100  -0.3835471630840610  H   0.0622003400767410   0.0594568525983704  -0.4843002970029710  H   0.0553864163833346   0.2066767843332010  -0.2808021440235590  H   0.2154057820633580  -0.0965910153820818  -0.1635366182462510  H  -0.0994227544777336   0.1078350307924980  -0.0932685924004024  H  -0.0394899298636431  -0.1915388952394240  -0.2363181410232310  H  -0.3313599369554510   0.0347956843786054  -0.1734759194661090  H  -0.3048235417641210  -0.1490424271049960  -0.0973026833024454  H   0.2957658974532340   0.1653142658519840  -0.4177572914118310  H   0.2253222217776890   0.2080936635167930  -0.1107121403266120  H  -0.2933030705118320  -0.0908206328897151  -0.3805195455088620  C  -0.0419999994337559   0.0060000000521541   0.3860000073909760  C  -0.1120000034570690   0.0930000022053719   0.2899999916553500  C  -0.1420000046491620   0.0099999997764826   0.1580000072717670  C   0.0340000018477440   0.0000000000000000   0.1150000020861630  C   0.0989999994635582  -0.0799999982118607   0.2199999988079070  C   0.2829999923706050  -0.0810000002384186   0.1879999935626980  C   0.0419999994337559   0.0060000000521541  -0.3860000073909760  C   0.1120000034570690   0.0930000022053719  -0.2899999916553500  C   0.1420000046491620   0.0099999997764826  -0.1580000072717670  C  -0.0340000018477440   0.0000000000000000  -0.1150000020861630  C  -0.0989999994635582  -0.0799999982118607  -0.2199999988079070  C  -0.2829999923706050  -0.0810000002384186  -0.1879999935626980  O  -0.2809999883174900   0.0879999995231628   0.3359999954700469  O  -0.1879999935626980   0.1030000001192090   0.0659999996423721  O   0.1270000040531160   0.0089999996125698   0.3389999866485600  O   0.3510000109672550  -0.1400000005960460   0.2930000126361850  O   0.2809999883174900   0.0879999995231628  -0.3359999954700469  O   0.1879999935626980   0.1030000001192090  -0.0659999996423721  O  -0.1270000040531160   0.0089999996125698  -0.3389999866485600  O  -0.3510000109672550  -0.1400000005960460  -0.2930000126361850  O   0.0000000000000000  -0.0970000028610229   0.0000000000000000
CELL_PARAMETERS {angstrom}  7.930000000000000       0.000000000000000      0.000000000000000  0.000000000000000       9.180000000000000      0.000000000000001  0.000000000000000       0.000000000000000      10.340000000000000K_POINTS{gamma}
    
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