[Pw_forum] c_bands : error
Paolo Giannozzi
giannozz at democritos.it
Sat Jun 4 11:57:13 CEST 2011
On Jun 3, 2011, at 21:33 , swapnil chandratre wrote:
> the results converge in 52 iterations but 1 iteration has
> 1 c_bands error (24th iteration) of 1 eigen value, does
> this mean the entire calculation is not reliable
http://www.quantum-espresso.org/user_guide/user_guide.html
Item 11.1.0.24
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
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