thank you <br>at first ,i searched the forum ,i thougt maybe my nq3 is not suitable, so i reset it 1 or 2,but the problem is still exists<br>i put the pw.x input <br>scf -dense k <br>&CONTROL<br>calculation  = "scf",<br>
restart_mode='restart'<br>  prefix       = "cnt-6-0",<br>  pseudo_dir   = "/home/xyh/intel_espresso-3.2/pseudo",<br>  outdir       = "/home/xyh/home2/pwscf/tmp/",<br>/<br>&SYSTEM<br>
  ibrav     = 6,<br>  a=15,b=15,c=4.2220489108343720,cosab=0.0,cosac=0.0,cosbc=0.0,<br>  nat       = 24,<br>  ntyp      = 1,<br>  ecutwfc   =30 ,<br>  occupations='smearing',<br>  smearing='methfessel-paxton',<br>
  degauss=0.05,<br>  la2F=.true.<br> /<br>&ELECTRONS<br>  conv_thr    = 1.D-8,<br>  mixing_beta = 0.7D0,<br>/<br>ATOMIC_SPECIES<br>C 12.011 C.pbe-van_bm.UPF<br>ATOMIC_POSITIONS {crystal}<br>C 0.1598076109747137  0.0000733581295555  0.9988311246545628<br>
C 0.1383637216981623  0.0799700788320645  0.1678380030877579<br>C 0.0798426995334280  0.1384369141302244  0.9988286407140949<br>C 0.9999265584704412  0.1598077965747077  0.1678355209454405<br>C 0.9200298333679388  0.1383638955981607  0.9988286537122391<br>
C 0.8615630066697761  0.0798428587334269  0.1678380303859084<br>C 0.8401921333252918  0.9999267161704418  0.9988311394545569<br>C 0.8616360358018371  0.9200299972679364  0.1678380140877553<br>C 0.9201570608665733  0.8615631689697807  0.9988286353140909<br>
C 0.0000731983295529  0.8401922996252896  0.1678354891454415<br>C 0.0799699142320615  0.8616361968018397  0.9988286107122391<br>......<br>.......<br>.......<br>K_POINTS {automatic}<br>1 1 16 0 0 0<br>--------------------------------------------------------------------<br>
--------------------------------------------------------------------<br>scf -small -k input <br>&CONTROL<br>calculation  = "scf",<br>restart_mode='restart'<br>  prefix       = "cnt-6-0",<br>
  pseudo_dir   = "/home/xyh/intel_espresso-3.2/pseudo",<br>  outdir       = "/home/xyh/home2/pwscf/tmp/",<br>/<br>&SYSTEM<br>  ibrav     = 6,<br>  a=15,b=15,c=4.2220489108343720,cosab=0.0,cosac=0.0,cosbc=0.0,<br>
  nat       = 24,<br>  ntyp      = 1,<br>  ecutwfc   =30 ,<br>  occupations='smearing',<br>  smearing='methfessel-paxton',<br>  degauss=0.05,<br>/<br>&ELECTRONS<br>  conv_thr    = 1.D-8,<br>  mixing_beta = 0.7D0,<br>
/<br>ATOMIC_SPECIES<br>C 12.011 C.pbe-van_bm.UPF<br>ATOMIC_POSITIONS {crystal}<br>C 0.1598076109747137  0.0000733581295555  0.9988311246545628<br>C 0.1383637216981623  0.0799700788320645  0.1678380030877579<br>C 0.0798426995334280  0.1384369141302244  0.9988286407140949<br>
C 0.9999265584704412  0.1598077965747077  0.1678355209454405<br>C 0.9200298333679388  0.1383638955981607  0.9988286537122391<br>C 0.8615630066697761  0.0798428587334269  0.1678380303859084<br>C 0.8401921333252918  0.9999267161704418  0.9988311394545569<br>
C 0.8616360358018371  0.9200299972679364  0.1678380140877553<br>C 0.9201570608665733  0.8615631689697807  0.9988286353140909<br>C 0.0000731983295529  0.8401922996252896  0.1678354891454415<br>C 0.0799699142320615  0.8616361968018397  0.9988286107122391<br>
C 0.1384367405302243  0.9201572206665688  0.1678379970859110<br>.......<br>.......<br>.....<br>K_POINTS {automatic}<br>
1 1 8  0 0 0<br>-------------------------------------------------------------------------------------------------------------<br>-----------------------------------------------------------------------------------------------------------<br>
-------------------------------------------------------------------------------------------------<br><div><span class="gmail_quote">2008/3/25, Dal Corso Andrea <<a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a>>:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Quick fix: if you do not need symmetry analysis of the modes you can<br> disable it by setting search_sym=.false. in PH/phq_setup.f90.<br> However it is possible that you have found a bug in the code. So please<br> provide the input of pw.x.<br>
 <br> Best Regards,<br> <br> Andrea<br> <br><br> <br> <br> <br> <br> On Mon, 2008-03-24 at 11:22 +0800, xu yuehua wrote:<br> > my el-ph input file<br> > elph<br> >  &inputph<br> >   tr2_ph=1.0d-12,<br> >   prefix='cnt-6-0',<br>
 >   fildvscf="cnt-6-0dv",<br> >   amass(1)=12.011,<br> >   outdir='/home/xyh/home2/pwscf/tmp/',<br> >   fildyn='cnt-6-0.dynG',<br> >   elph=.true.,<br> >   trans=.true.,<br> >   ldisp=.true.<br>
 >   nq1=1,nq2=1,nq3=12<br> ><br> > in fact ,my material is Q1D ,so my q is along z direct .<br> > and my out file "<br> ><br> > --<br> ><br> > Program PHONON    v.3.2    starts ...<br> >      Today is 24Mar2008 at 11:55:29<br>
 ><br> >      Parallel version (MPI)<br> ><br> >      Number of processors in use:       1<br> ><br> >      Ultrasoft (Vanderbilt) Pseudopotentials<br> ><br> >      Planes per process (thick) : nr3 = 30 npp =  30 ncplane =10000<br>
 ><br> >  Proc/  planes cols    G   planes cols    G    columns  G<br> >  Pool       (dense grid)      (smooth grid)   (wavefct grid)<br> >   1     30   7685 142191   30   7685 142191 2217  21975<br> >   0     30   7685 142191   30   7685 142191 2217  21975<br>
 ><br> ><br> >      nbndx  =    58  nbnd   =    58  natomwfc =    96  npwx   =<br> > 17826<br> >      nelec  =  96.00  nkb   =   192  ngl    =    7459<br> ><br> >      negative rho (up, down):  0.900E-02 0.000E+00<br>
 ><br> >      starting from an old run<br> >      Doing now the calculation for q point nr   1<br> ><br> ><br> >      Calculation of the dynamical matrices for ( 1, 1,12,) uniform<br> > grid of q-points<br>
 >      (   7q-points):<br> >        N       xq(1)       xq(2)       xq(3)<br> >        1     0.00000     0.00000     0.00000<br> >        2     0.00000     0.00000     0.29606<br> >        3     0.00000     0.00000     0.59213<br>
 >        4     0.00000     0.00000     0.88819<br> >        5     0.00000     0.00000     1.18426<br> >        6     0.00000     0.00000     1.48032<br> >        7     0.00000     0.00000    -1.77639<br> ><br>
 >  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> > %%%%%%%%%<br> >      from tipo_sym : error #         1<br> >      symmetry not recognized<br> >  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
 > %%%%%%%%%<br> ><br> >      stopping ...<br> > [0] MPI Abort by user Aborting program !<br> > [0] Aborting program!<br> > p0_3731:  p4_error: : 0<br> ><br> ><br> ><br> > Xu Yuehua<br> > physics Department of Nanjing university<br>
 > China<br> <br>> _______________________________________________<br> > Pw_forum mailing list<br> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br> > <a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
 --<br> Andrea Dal Corso                    Tel. 0039-040-3787428<br> SISSA, Via Beirut 2/4               Fax. 0039-040-3787528<br> 34014 Trieste (Italy)               e-mail: <a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a><br>
 <br> <br> _______________________________________________<br> Pw_forum mailing list<br> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br> <a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
 </blockquote></div><br><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China