[Pw_forum] Precision

Álvaro Alves asafis at yahoo.com.br
Fri Sep 3 17:14:42 CEST 2010


Hello PWscf users. I'm investigating a magnetic system where magnetic coupling 
(J = E1-E2) is about 0.00001 Ry. E1 and E2 are the total energies of 
ferromagnetic and antiferromagnetic configurations, respectively. I always used 
to four decimal places the total energy. Is it correct to use more than four 
decimal places? What is the maximum precision that allows this kind of calculus?
 
Sincerely,

A. S. Santos
Univesidade Federal Fluminense
Niter?i-Rio de Janeiro-Brasil



      
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