Hello:
I'm trying to do a run with Siesta for a slab that is passivated at
one end with a fictitious H atom (charge 1.25), and
I keep getting this error message:
CH_OVERLAP: THE NUMBER OF INTEGRATION POINTS MUST BE INCREASED
CH_OVERLAP: Z1= 1.24999772008842713 IZ1= 1
CH_OVERLAP: Z2= 1.24999772008842713 IZ2= 1
Stopping Program from Node: 0
Can you give me some idea of what to change to fix it? (I run it in a
Mac OS X 10.4.10 and in linux fedora and
ubuntu distributions with no difference whatsoever).
Thanks a lot for your help!
Nancy
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Nancy Sandler ph:
(740)-593-9434
Dept. of Physics and Astronomy fax: (740)-593-0433
Ohio University email: [EMAIL PROTECTED]
Athens, OH 45701
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