[Pw_forum] el-ph error in package3.2.3

[Dal Corso Andrea]

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 
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-- 
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