<div dir="ltr">Dear Users<div><br></div><div>Suppose I got a perfect convergence (for bulk) with some k-mesh say 30*30*30 and computed optical properties with k-mesh 90*90*90. </div><div><br></div><div>Again I got a perfect convergence (for supercell 1*1*6) with k-mesh say 20*20*10 (rather than 30*30*6, just for time saving and luckily convergence is done) and then computed optical properties with k-meshes 90*90*15.</div><div><br></div><div>My questions are:</div><div>is it computationally right?</div><div>Can I used the previous calculation (i.e directory with converged SCF with k-mesh say 20*20*10) to compute optical properties with different k-meshes, like simply pick previous calculation, increase Emax in case.in1, x kgen, lapw1 and so on? </div><div><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div>Kind Regards</div><div>Muhammad Sajjad </div><div>Post Doctoral Fellow</div><div>KAUST, KSA.</div></div></div>
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