[Pw_forum] error-but nothing

临 住 zhupwscf at yahoo.com.cn
Mon May 9 10:18:06 CEST 2005


Dear Dr. :
        I have attached the input,output and the error files of the TiC in the affix as following:
 
The output file of TiC:
***************************************************************
.Program PWSCF     v.2.1.3  starts ...
     Today is 27Apr2005 at 21: 8:32 
     Ultrasoft (Vanderbilt) Pseudopotentials
     Current dimensions of program pwscf are:
     ntypx =10   npk =40000  lmax = 3
     nchix = 6  ndmx = 2000  nbrx =14 nqfx = 8
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #       136
      reading namelist control 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
*********************************************************************************
 
The input file of TiC:
************************************************************************************
 &CONTROL
                       title = TiC ,
                 calculation = 'vc-relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/zul2/Tic-pwscf/' ,
                  pseudo_dir = '/home/zul2/pwscf/fhi98PP/bin/Elements/Ham/' ,
 /
 &SYSTEM
                       ibrav = 2,
                           A = 4 ,
                           B = 4 ,
                           C = 4 ,
                       cosAB = 0 ,
                       cosAC = 0 ,
                       cosBC = 0 ,
                         nat = 2,
                        ntyp = 2,
                     ecutwfc = 20 ,
                     ecutrho = 60 ,
                       nspin = 2 ,
   starting_magnetization(1) = 0,
   starting_magnetization(2) = 0,
 /
 &ELECTRONS
            electron_maxstep = 100,
 /
 &IONS
 /
 &CELL
 /
ATOMIC_SPECIES
   Ti   22.00000  22-Ti:h.ini 
    C    6.00000  06-C:h.ini 
ATOMIC_POSITIONS crystal 
   Ti      0.000000000    0.000000000    0.000000000    
    C      0.500000000    0.500000000    0.500000000    
K_POINTS gamma 
***********************************************************************************


Eyvaz Isaev <eyvaz_isaev at yahoo.com> 写道:
Dear Zhu,

There is a "nearsightseeing" principle in condensed
matter physics. According to this principle I don't
see your output file, therefore, I do not feel (or
see) an error.

Bests,
Eyvaz.


--- БЩ Ч#1038;
wrote:
> Dear Eyvaz:
> I'm grateful to you for helping me.
> There is not pseudopotential for Co atom
> except for fhi98pp pseudopotential of Co atom. The
> output file said nothing but just error 136,
> 
> Best regards!
> Yours sincerely,
> L.Zhu
> 
> Eyvaz Isaev 
Р#1169;?#1040;:
> Hello,
> 
> It means that it does not depend on PsP, at least. 
> I suggest, nobody will be able to say something 
> until you send your ouput file.
> 
> Bests,
> Eyvaz.
> 
> --- ?#1118;Щ ?#8470;#1038;
> wrote:
> > Dear everyone:
> > I'm a new user of pwscf, I use the fhi98pp 
> > pseudopotential ,but there is an error 136, and
> say
> > nothing, I user other pseudopotential ,it's the
> > same error. I don't know what's wrong.
> > 
> > 
> > Best regards!
> > 
> > 
> > 
> > 
> > ---------------------------------
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>
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