[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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