Quick fix: if you do not need symmetry analysis of the modes you can disable it by setting search_sym=.false. in PH/phq_setup.f90. However it is possible that you have found a bug in the code. So please provide the input of pw.x.
Best Regards, Andrea On Mon, 2008-03-24 at 11:22 +0800, xu yuehua wrote: > my el-ph input file > elph > &inputph > tr2_ph=1.0d-12, > prefix='cnt-6-0', > fildvscf="cnt-6-0dv", > amass(1)=12.011, > outdir='/home/xyh/home2/pwscf/tmp/', > fildyn='cnt-6-0.dynG', > elph=.true., > trans=.true., > ldisp=.true. > nq1=1,nq2=1,nq3=12 > > in fact ,my material is Q1D ,so my q is along z direct . > and my out file " > > -- > > Program PHONON v.3.2 starts ... > Today is 24Mar2008 at 11:55:29 > > Parallel version (MPI) > > Number of processors in use: 1 > > Ultrasoft (Vanderbilt) Pseudopotentials > > Planes per process (thick) : nr3 = 30 npp = 30 ncplane =10000 > > Proc/ planes cols G planes cols G columns G > Pool (dense grid) (smooth grid) (wavefct grid) > 1 30 7685 142191 30 7685 142191 2217 21975 > 0 30 7685 142191 30 7685 142191 2217 21975 > > > nbndx = 58 nbnd = 58 natomwfc = 96 npwx = > 17826 > nelec = 96.00 nkb = 192 ngl = 7459 > > negative rho (up, down): 0.900E-02 0.000E+00 > > starting from an old run > Doing now the calculation for q point nr 1 > > > Calculation of the dynamical matrices for ( 1, 1,12,) uniform > grid of q-points > ( 7q-points): > N xq(1) xq(2) xq(3) > 1 0.00000 0.00000 0.00000 > 2 0.00000 0.00000 0.29606 > 3 0.00000 0.00000 0.59213 > 4 0.00000 0.00000 0.88819 > 5 0.00000 0.00000 1.18426 > 6 0.00000 0.00000 1.48032 > 7 0.00000 0.00000 -1.77639 > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > %%%%%%%%% > from tipo_sym : error # 1 > symmetry not recognized > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > %%%%%%%%% > > stopping ... > [0] MPI Abort by user Aborting program ! > [0] Aborting program! > p0_3731: p4_error: : 0 > > > > Xu Yuehua > physics Department of Nanjing university > China > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 34014 Trieste (Italy) e-mail: dalcorso at sissa.it
