Mz11-212

6/15/11
Submitted mz11-212.in to reg_med queue
Run on 32 nodes, 8 ppn
walltime of 36:00:00
natom 68
ecut 25 Hartrees
prtelf 1

6/16/11
Still in the queue

6/22/11
Convergence reached after 15 SCF cycles
669958.4 sec total time
ecut 25 Hartrees
etot -4.8702908041E02
diff etot 1.446E-08
natom 68
nband 131
nkpt 258

6/27/11
I made the ELF file for mz11-212 in vesta after converting the file to a .xsf. It looks pretty good with an isosurface value of 0.96, and the Te lone pairs are easy to visualize.