Elastic constants calculation - WIEN 2k

Polynomial fit for Czz doneA RMS of 0.899789E-05 was achieved using a polynome of degree : 2At volume= 234.6314 bohr^3Czz is: 0.023997 a.u or 353.0051 GPa******************************************Analyze done.....Do you want a hardcopy? (y/N)***************************************You can find data in ELC.output file.***************************************########################################### H_ana_elastc_lapw analyses Elastic ## constant ## C(2012) by Morteza Jamal ## using case.outputeos ## VstVene ## which have been created by ## HEX.job ###########################################-0.020000 -3415.258482-0.010000 -3415.2590130.000000 -3415.2591450.010000 -3415.2589620.020000 -3415.258437===============================================================Order of fit: 2 C11-C12 is: 108.6240 GPa, RMS: 0.990173E-05Order of fit: 3 C11-C12 is: 108.6240 GPa, RMS: 0.600696E-05Order of fit: 4 C11-C12 is: 95.6228 GPa, RMS: 0.909495E-12******************************************Polynomial fit for C11-C12 doneA RMS of 0.990173E-05 was achieved using a polynome of degree : 2At volume= 234.6314 bohr^3C11-C12 is: 0.007384 a.u or 108.6240 GPa******************************************Analyze done.....Do you want a hardcopy? (y/N)***************************************You can find data in ELC.output file.***************************************########################################### H_ana_elastc_lapw analyses Elastic ## constant ## C(2012) by Morteza Jamal ## using case.outputeos ## VstVene ## which have been created by ## HEX.job ###########################################-0.020000 -3415.273202-0.010000 -3415.2736520.000000 -3415.27374318