From the plot you sent earlier the difference in these 2 calculations was 0.0001 Ry, not 0.001 !!??????

Of course, with your default convergence criterium these 2 calculations are the same.

On 01/04/2017 04:16 PM, Abderrahmane Reggad wrote:
Thank you Dr Pieper for you answer

According to the results with a difference of 0.001 Ry , can we
considere the 2 calculations are the same ?

Best regards

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Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie




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