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Error message

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cooljansen2

Sun Jul 01 2012, 06:57PM

Registered Member #5962
Joined Sun Jul 01 2012, 06:54PM
posts 1

When I submitted a job, vasp showed the following error message:

"LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
No initial positions read in"

Here's my POSCAR:

Pt - (211) 2x2x3
3.98
3.46410 0.00000 0.00000
0.00000 1.41421 0.00000
0.00000 0.00000 2.95673
12
selective dynamics
direct
0.16667 0.00000 0.00000 F F F
0.66667 0.00000 0.00000 F F F
0.16667 0.50000 0.00000 F F F
0.66667 0.50000 0.00000 F F F
0.33333 0.25000 0.06904 T T T
0.83333 0.25000 0.06904 T T T
0.33333 0.75000 0.06904 T T T
0.83333 0.75000 0.06904 T T T
0.00000 0.00000 0.13807 T T T
0.50000 0.00000 0.13807 T T T
0.00000 0.50000 0.13807 T T T
0.50000 0.50000 0.13807 T T T

Could anyone help me where I went wrong?
Thanks for the help

admin

Tue Jul 03 2012, 12:37PM

posts 2328

POSCAR is OK. Check for special (invisible) characters which can be introduced by the text editor at the end of lines.

alex

Wed Jul 04 2012, 10:38AM

Registered Member #47
Joined: Tue Nov 16 2004, 02:21PM
Location: Germany
posts 358

Does your POSCAR eventually start with an empty line? It's not clear from your posting ...

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