[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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