Re: CCL:CRYSTAL03 - Help needed

I have been informed by our local CRYSTAL experts that most likely your input geometry is wrong. Alternatively you may have a very diffuse function in your basis set. LIM007 refers to the number of lattice vectors needed to describe your system correctly. This number can get exceedingly big if some atoms are too close together, or likewise if you use too diffuse functions for crystal calculations in your basis set.
Let me know if this does not solve your problems and I will progress it further.
 Best wishes,
 Ojwang, J.G.O. wrote:
 Dear CCLnetters,
 Has anyone had experience with Crystal03? I've tried to run a system but I get
 error messages to the effect that:
 (i) increase LIM007
 (ii) neighbour list too big increase LIMBEC
 Any idea how I can do this.
 Futrther when I try to run a supercel I get an error message that 'file size
 limit exceed'. How can i increase the limit of the file size.
 Waiting for an urgent response from any Crystal03 informed netter.
 Best Regards,
 Ojwang' JGO
 Eindhoven University of Technology,
 The Netherlands.
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