How to converge for partial-DOS calculation
Posted: Mon Sep 25, 2017 1:50 am
Hello, abinit users.
I started calculation for partial DOS with abinit-8.4.3.
However, I have stopped running abinit because of not converged total energy.
I attached several files about this calculation.
Please advice me for convergence.
For comparison. I have successed scf calculation only.
My calculation environment；
OS:Windows 7,
CPU:Intel Xeoan E3-1225 V2 3.20 GHz (4 core)
Main memory:32 GB
Best regards.
Noyaki
I started calculation for partial DOS with abinit-8.4.3.
However, I have stopped running abinit because of not converged total energy.
I attached several files about this calculation.
Please advice me for convergence.
For comparison. I have successed scf calculation only.
My calculation environment；
OS:Windows 7,
CPU:Intel Xeoan E3-1225 V2 3.20 GHz (4 core)
Main memory:32 GB
Best regards.
Noyaki