<DIV>Dears WIEN users,<BR>I have some question for the calculation of the properties of matérial:</DIV>
<DIV> 1- <STRONG><EM><U>why we change the G<FONT size=1>min</FONT> :</U></EM></STRONG> I have remarked that it change the time of calculation but the thing that a don't understand is what's the relation between the time of calculation and the Gmin ? for exemple for me i have use 9 at the place of 7.</DIV>
<DIV> 2-<STRONG><U>in the optimization of volume specially in the k-list file :</U></STRONG> why we take the k-list by default ? my structure is hexagonel </DIV>
<DIV> 3-<STRONG><U> in the calculation of GGA:</U></STRONG> when i have calculated my optimization of volume, i have used firstly Gmax=14 and next i have changed to 24 because i have a probleme and with Gmax=24 i have a good result so what i want here is i want to know the reason .</DIV>
<DIV>i ask this questions because i am a novice in wien </DIV>
<DIV>thank lot</DIV>
<DIV><BR><BR>Thanks a bunch<BR></DIV><p>
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