Hi all,
I'm trying to get formation energy of 72 atoms of fcc crystal structure. Everything look good (Cart poscar, small monkhorst pack kpoints) but it seems it never runs.
Everything is frozen at:
FFT: planning ...
WAVECAR not read
entering main loop
N ER dE deps ncg rms rms(c)
Is anybody help me out?
Thank you,
Running stops at "entering the main loop"
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 5
- Joined: Mon Oct 14, 2013 10:01 pm
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Re: Running stops at "entering the main loop"
Attach your POSCAR and INCAR.