Diamond:
INCAR:
SYSTEM = diamond
PREC = Accurate
ENCUT = 600.0
EDIFF = 1e-6
ISMEAR = 0
SIGMA = 0.05
POTIM = 0.100
LCHARG = FALSE
LWAVE = FALSE
IBRION=6
ISIF=3
NFREE=4
EDIFFG = 1e-5
EDIFFG = -0.001
OUTCAR
92772 TOTAL ELASTIC MODULI (kBar)
92773 Direction XX YY ZZ XY YZ ZX
92774 --------------------------------------------------------------------------------
92775 XX 10542.0731 1253.9340 1253.8826 -33.2003 0.0000 0.0000
92776 YY 1253.9340 10542.0731 1253.8826 -33.2003 0.0000 0.0000
92777 ZZ 1253.8826 1253.8826 10542.0889 -4.3655 0.0000 0.0000
92778 XY -33.2003 -33.2003 -4.3655 5633.1588 0.0000 0.0000
92779 YZ 0.0000 0.0000 0.0000 0.0000 5633.9957 -11.1251
92780 ZX 0.0000 0.0000 0.0000 0.0000 -11.1251 5633.9957
92781 --------------------------------------------------------------------------------
OK