[Pw_forum] help

[GAO Zhe]

That means the parameter or format for the card K_POINTS {automatic} is wrong in your Si.band.in.
Please provide your input file, no person can point out the exact error due to the lack of information.


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 

At 2012-07-16 21:29:38,"Nyaruanda Calvince" <subacalvince at gmail.com> wrote:

am a new user .
am running mpirun -np 2 pw.x < Si.band.in > Si.band.out calculation. The following is my output:


     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO


     Parallel version (MPI), running on     2 processors
     R & G space division:  proc/pool =    2


     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...
     Reading input from stdin


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from card_kpoints : error #         1
      error while reading automatic k points
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


     stopping ...


Additionally, from my command line the following error messages appear after the above run command.
may you help me please. 
Regards
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