[Wien] supercell problem of Al2O3

swati chaudhury swati at rcais.res.in
Tue Oct 2 08:37:32 CEST 2007


Dear all Wien users,
  I want to calculate Al2O3 supercell with slab in Wien2k.Upto 18 Bohr slab, the calculation is o.k with RKmax=5.50 and Rmt=1.66,k-point=1.
  When the slab is 20 bohr, I have got lapw1 error i.e. segmentation fault message.
   I have already done, ulimit -s unlimited -in bashrc.
                                 limit stacksize unlimited-in lapw0para &x_lapw .
   
  So ,what can I do now? Please suggest me.
  Thanks.
  swati     
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