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
--
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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