VASP Inputs for ICME 2013

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[[Energy-Volume Curves| Energy Volume Curves]]
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[[Energy-Volume Curves| < Back to Energy Volume Curves]]
  
 
===INCAR ===
 
===INCAR ===

Latest revision as of 08:36, 4 July 2013

< Back to Energy Volume Curves

[edit] INCAR


ISMEAR = -5     #Smearing technique - Tetrahedron method
ENCUT = 360     #Energy cutoff
EDIFF = 1e-6    #Global break condition for the electronic SC-loop

[edit] KPOINTS


Automatic mesh
0              ! number of k-points = 0 ->automatic generation scheme 
Monkhorst-Pack ! Use Monkhorst-Pack scheme
4  4  4        ! subdivisions N_1, N_2 and N_3 along reciprocal lattice vectors
0. 0. 0.       ! optional shift of the mesh 

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