[ase-users] Z- cordinate of supercell

[Kofi Oware Sarfo]

Hi,My  system was recently updated to the new  ase-3.14.1  package. I have tried to make  POSCAR files from a couple of python scripts  some metals. However, the z coordinate of the supercells  yeilds to zero when to run the python script to make the POSCAR file. For instance , I run the following python script  for Pt(100):
from ase import *from ase.lattice.surface import *from ase.visualize import viewfrom ase.io import write

#create  unit cellslab = fcc100('Pt',size=(3,3,3),a=3.9242)
write('POSCAR',slab)

This script when run  gave the following POSCAR :
Pt 1.0000000000000000     8.3244852921967496    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.3244852921967496    0.0000000000000000     0.0000000000000000    0.0000000000000000    0.0000000000000000  27Cartesian  0.0000000000000000  0.0000000000000000  0.0000000000000000  2.7748284307322497  0.0000000000000000  0.0000000000000000  5.5496568614644994  0.0000000000000000  0.0000000000000000  0.0000000000000000  2.7748284307322497  0.0000000000000000  2.7748284307322497  2.7748284307322497  0.0000000000000000  5.5496568614644994  2.7748284307322497  0.0000000000000000  0.0000000000000000  5.5496568614644994  0.0000000000000000  2.7748284307322497  5.5496568614644994  0.0000000000000000  5.5496568614644994  5.5496568614644994  0.0000000000000000  1.3874142153661249  1.3874142153661249  1.9621000000000002  4.1622426460983748  1.3874142153661249  1.9621000000000002  6.9370710768306241  1.3874142153661249  1.9621000000000002  1.3874142153661249  4.1622426460983748  1.9621000000000002  4.1622426460983748  4.1622426460983748  1.9621000000000002  6.9370710768306241  4.1622426460983748  1.9621000000000002  1.3874142153661249  6.9370710768306241  1.9621000000000002  4.1622426460983748  6.9370710768306241  1.9621000000000002  6.9370710768306241  6.9370710768306241  1.9621000000000002  0.0000000000000000  0.0000000000000000  3.9242000000000004  2.7748284307322497  0.0000000000000000  3.9242000000000004  5.5496568614644994  0.0000000000000000  3.9242000000000004  0.0000000000000000  2.7748284307322497  3.9242000000000004  2.7748284307322497  2.7748284307322497  3.9242000000000004  5.5496568614644994  2.7748284307322497  3.9242000000000004  0.0000000000000000  5.5496568614644994  3.9242000000000004  2.7748284307322497  5.5496568614644994  3.9242000000000004  5.5496568614644994  5.5496568614644994  3.9242000000000004

Could  I get some assistance with this . Thanks
regardsKofi


  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20170728/43b65f60/attachment.html>