Hi
I just did a successfull simulation (surface relaxation) with almost the same POSCAR file.
I had 6 atomes. Now, I added 3 more for a total of 9 and I have this error message : "No initial positions read in".
What I'm doing wrong?
Thanks
JF
here is my POSCAR file
nickel fcc [111]
2.4877
1.0000 0.0000 0.0000
0.5000 0.8660 0.0000
0.0000 0.0000 14.6970
9
Selective dynamics
Direct
0.0000 0.0000 0.0000 T T T
0.3333 0.3333 0.0556 T T T
0.6666 0.6666 0.1119 T T T
0.0000 0.0000 0.1667 F F F
0.3333 0.3333 0.2222 F F F
0.6667 0.6667 0.2778 F F F
0.0000 0.0000 0.3333 T T T
0.3333 0.3333 0,3889 T T T
0.6667 0.6667 0.4444 T T T
No initial positions read in
Moderators: Global Moderator, Moderator
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jfjobidon
No initial positions read in
Last edited by jfjobidon on Tue Sep 27, 2011 4:25 pm, edited 1 time in total.
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jfjobidon
No initial positions read in
OK I found the problem: there is a comma instead of a point in my positions :-(
Last edited by jfjobidon on Tue Sep 27, 2011 4:47 pm, edited 1 time in total.