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On Sep 8, 2009, at 21:04 , udayagiri sai babu wrote:
> which equation of state should i use for cr? because for vanadium
> and Ti
> murnagan equation of state has given reasonable (<20% error) values of
> bulk modulus but not for Cr
you are not, for sure, the first one trying to find the grou
t
> Pw_forum at pwscf.org
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Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
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PhD student,
Deformation mechanisms modeling group,
Materials engineering department,
IISc Bangalore,
India.
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e italian brains ***
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On Mar, Settembre 8, 2009 03:38, wangqj1 wrote:
> Dear Lorenzo
> Thanks for your help, but what shoul I do to solve the problem ? Can
> you tell the specific course ?
Please have a look at the user guide:
http://www.quantum-espresso.org/user_guide/node14.html
(and its subsections!)
Don't