View source for VASP Computing Density of States of YSZ

===INPUT===
INCAR - 0 ionic relaxation step (actually it calculates 1F step) 
<pre>
SYSTEM = YSZ +VAC Calculation (neutral)
ISTART = 0
ISMEAR = 0
IBRION = 2
ALGO=Normal
LREAL= Auto
NPAR = 4
NSIM = 4
NSW    =     0
</pre>
POSCAR - use the coordinates of relaxed system, which is result of the above section, 'VASP Computing Bulk Modulus of YSZ'.
<pre>
YSZ                                     
   5.22000000000000     
     1.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    1.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    1.0000000000000000
   2   2   7
Direct
  0.0219105146249504  0.0190519762346807  0.0219105146249504
  0.4780894853750495  0.0190519762346807  0.4780894853750495
  0.4880617446449423  0.5050294793354729  0.0119382553550578
  0.0119382553550578  0.5050294793354729  0.4880617446449423
  0.2500000000000000  0.2546571637060090  0.2500000000000000
  0.7500000000000000  0.2629226662196122  0.2500000000000000
  0.2500000000000000  0.7621298800855840  0.2500000000000000
  0.7500000000000000  0.7767467540645211  0.2500000000000000
  0.2500000000000000  0.2629226662196122  0.7500000000000000
  0.7500000000000000  0.1057112044998329  0.7500000000000000
  0.2500000000000000  0.7767467540645211  0.7500000000000000
</pre>
KPOINTS and POTCAR are same as the ones used in the above section, 'VASP Computing Bulk Modulus of YSZ'.

===Run VASP===
Submit job script, vasp.script on su-ahpcrc. vasp.script is same as the one used in the above section, 'VASP Computing Bulk Modulus of YSZ'.
<pre>
> qsub vasp.script
</pre>

===Result===
[[Image:dos.jpg]] [[Image:accu_dos.jpg]]