<div dir="rtl"><div dir="ltr"><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4" color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">I started a new calculation with "minimum parameters" using </span></font></font><font size="4" color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">init_lapw -prec 0, </span></font></font><font size="4" color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">which suggested the following parameters:</span></font></font></p><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4" color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">RMT*Kmax=5</span></font></font></p><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4" color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">64 k-points (6 IBZ)</span></font></font></p><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4"><br></font><font size="4"><br></font></p><pre style="white-space:pre-wrap;margin-bottom:0.5cm;font-family:"Times New Roman",serif;background:transparent"><font size="4"> I did parallel calcualtion using:
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
granularity:1
extrafine:1
omp_global:8
omp_lapw1:1
<font color="#222222"><font face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial">omp_lapw2:1</span></font></font></font></pre><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4" face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font color="#222222">In few hours I got 6 full SCF cycles with average of ~38 minutes per cycle</font></span></font></p><p style="line-height:13px;margin-bottom:0.5cm;background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font size="4" face="Times New Roman, serif"><span style="background-image:initial;background-position:initial;background-size:initial;background-repeat:initial;background-origin:initial;background-clip:initial"><font color="#222222">Victor<br></font></span></font></p></div><div dir="ltr"><br></div></div>