<div dir="ltr"><p dir="LTR" style="font-family:arial,sans-serif;margin:0cm 0cm 0pt;direction:ltr"><font color="#000000"><span style="font-family:'Times New Roman',serif">Dear all</span><span style="font-family:'Times New Roman',serif"></span></font></p>
<font color="#000000" face="Times New Roman"></font><p dir="LTR" style="font-family:arial,sans-serif;margin:0cm 0cm 0pt;direction:ltr"><font color="#000000"><span style="font-family:'Times New Roman',serif">I Want to calculate structrul properties of  HgTe with espresso .For thise I convert pseudopotentials  80-Hg-GGA.fhi and 52-Te-GGA .fhi from abinit with upftools. I use 6s</span>^{<span style="font-family:'Times New Roman',serif">2</span>}<span style="font-family:'Times New Roman',serif">6p</span>^{<span style="font-family:'Times New Roman',serif">0</span>}<span style="font-family:'Times New Roman',serif">5d</span>^{<span style="font-family:'Times New Roman',serif">10</span>}<span style="font-family:'Times New Roman',serif">5f</span>^{<span style="font-family:'Times New Roman',serif">0</span>}<span style="font-family:'Times New Roman',serif"> valance orbitals for Hg. But in some pseudopotentials for Hg in espresso these orbitals are 6s</span>^{<span style="font-family:'Times New Roman',serif">2</span>}<span style="font-family:'Times New Roman',serif">6p</span>^{<span style="font-family:'Times New Roman',serif">0.5</span>}<span style="font-family:'Times New Roman',serif">5d</span>^{<span style="font-family:'Times New Roman',serif">9.5</span>}<span style="font-family:'Times New Roman',serif">5f</span>^{<span style="font-family:'Times New Roman',serif">0</span>}<span style="font-family:'Times New Roman',serif">.</span><span style="font-family:'Times New Roman',serif"></span></font></p>
<font color="#000000" face="Times New Roman"></font><p dir="LTR" style="font-family:arial,sans-serif;margin:0cm 0cm 10pt;text-align:justify;direction:ltr"><span style="font-family:'Times New Roman',serif">Which one is correct?</span><span style="font-family:'Times New Roman',serif"></span></p>
<font color="#000000" face="Times New Roman"></font><p dir="LTR" style="font-family:arial,sans-serif;margin:0cm 0cm 10pt;text-align:justify;direction:ltr"><span style="font-family:'Times New Roman',serif">could anyone help me with this?</span><span style="font-family:'Times New Roman',serif"></span></p>
<font color="#000000" face="Times New Roman"></font><p dir="LTR" style="font-family:arial,sans-serif;margin:0cm 0cm 10pt;text-align:justify;direction:ltr"><span style="font-family:'Times New Roman',serif">I attached the converted file to this email.</span></p>
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