[Wien] Two questions

mkhsabra at aec.org.sy mkhsabra at aec.org.sy
Thu Dec 30 09:51:43 CET 2004


 Dear All wien users;

 1- I wish you all  a very happy new year.

 2- I am trying to build a supercell (2x2x2) of InP. I have got 64 atoms in 
the *.struct file. But also I have got error:
 testerror: parallel lapw2 error. 
 How can I solve it. where the Gmax 9 ant no. k points is 27.

 3- The 64 atoms ar generated from 10 inequvelant atoms. Do the calculations 
consider only the inequvelant atoms or all atoms in the struct file.

 please help

 best wihes

 M. K. Sabra

  

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