[CPMD-list] Warning
Martijn Zwijnenburg
M.A.Zwijnenburg at tnw.tudelft.nl
Mon Jun 3 13:26:58 CEST 2002
Hi,
I'm optimizing quartz (both ion positions and cell volume) using
CPMD and get the warning message: Warning! Spline region
smaller then maximum G-value. The optimization seems to
converge nicely but what does this warning mean / imply?
Cheers,
Martijn
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Martijn Zwijnenburg
Lab. of Applied Organic Chemistry and Catalysis
Delft University of Technology
Julianalaan 136
2628 BL Delft
The Netherlands
Tel: 0031-(0)152782691
Fax: 0031-(0)152784700
e-mail: M.A.Zwijnenburg at tnw.tudelft.nl
web page: http://come.to/tock
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