Dear Prof. Blaha I did some calculation for Bulk Na (bcc, space gp #229_Im-3m) wiht k-mesh 30*30*30 and found the plasma frequency (in case.outputjoint) as Plasma frequencies:
w_p_xx w_p_zz [eV] 5.9446 5.9446 Now I constructed a supercell 1*1*6 (definitely symmetry reduced and now sp.gp is 1_P1), used k-mesh 30*30*5 and found Plasma frequencies (much deviating from bulk values): w_p_xx w_p_zz [eV] 5.76146 5.3446 Then used k-mesh 90*90*15 and found Plasma frequencies (w_p_zz is deviating from bulk w_p_zz ): w_p_xx w_p_zz [eV] 5.9485 5.8903 I have read the previous post ( https://email@example.com/msg09782.html) but it is not speaking about w_p_zz. So when I plot epsilon data for w_p_xx then it is matching with that of bulk but when I use w_p_zz then it is definitely away from bulk. Should I consider w_p_zz or use "number of choice = 1 in case.inop" and plot epsilon only with w_p_xx ? Kind Regards Muhammad Sajjad Post Doctoral Fellow KAUST, KSA.
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