[Pw_forum] All electron calculations for Cr and Ti

Stefano Baroni baroni at sissa.it
Mon Sep 7 21:32:09 CEST 2009


for which system? have you tried google? SB

On Sep 7, 2009, at 7:25 PM, udayagiri sai babu wrote:

> Dear all
> I am looking for values of lattice parameter and bulk modulus values  
> calculated from all electron calculation to compare my pseudo  
> potentials. If somebody has the reference can you please let me know.
>
> -- 
> U.Saibabu
> PhD student,
> Deformation mechanisms modeling group,
> Materials engineering department,
> IISc Bangalore,
> India.
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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