Dear User:
I am doing the SCF calculation of Sr2MnMoO6 using PAW Potentials but it
cannot converged.
I checked different Ecut (30Ry, 40Ry or 50Ry), mixing mode (TF or
plain), diagonalization (david or cg) and mixing_beta (0.3, 0.7), but it
always not converged.
The SCF input is:
&control
-- Original --
From: "Shuai";
Date: Fri, Oct 9, 2015 12:00 PM
To: "PWSCF Forum";
Subject: [Pw_forum] Convergence NOT achieved for Sr2MnMoO6 using PAW pp
Dear User:
I am doing the SCF calculation of Sr2MnMoO6 using PAW Potentials but it
cannot converged.
-- Original --
*From: * "Shuai";
*Date: * Fri, Oct 9, 2015 12:00 PM
*To: * "PWSCF Forum";
*Subject: * [Pw_forum] Convergence NOT achieved for Sr2MnMoO6 using PAW pp
Dear User:
I am doing the SCF calculation of Sr2MnMoO6 using PAW Potentials but
庞瑞 (PANG Rui)
South University of Science and Technology of China/Department of Physics
No.1088,Xueyuan Road, Shenzhen,Guangdong
-- Original --
*From: * "Shuai";
*Date: * Fri, Oct 9, 2015 12:00 PM
*To: * "PWSCF Forum";
*Subject: * [Pw_for
