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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Dear Ebraahimi,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>I imagine that you want to use real atoms
the system is not 2D but just quasi-2D. In that case one just uses the standard
3D approximations.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>In local and quasi-local approximations of
the energy functional (LDA PBE) the long range dimensionality of the system is not
taken into account.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>The calculations by Tanatar are for
strictly two dimensional systems. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Fernando Reboredo<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'> pw_forum-bounces@pwscf.org
[mailto:pw_forum-bounces@pwscf.org] <b><span style='font-weight:bold'>On Behalf
Of </span></b>Reza Ebraahimi<br>
<b><span style='font-weight:bold'>Sent:</span></b> Wednesday, January 07, 2009
11:00 AM<br>
<b><span style='font-weight:bold'>To:</span></b> pw_forum@pwscf.org<br>
<b><span style='font-weight:bold'>Subject:</span></b> [Pw_forum] 2D electron
gas</span></font><o:p></o:p></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>Hello everyone<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>As i understand, the use of the different approximations for XC energy
in the code is defined by the kind of psedopotentials we use.<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>I want to know that if someone tries to study 2D systems, is it
possible in the code to generate PP's which the XC energy is calculated by
the mean of 2D electron gas database (For example the work done by Tanatar
& Ceperley, PRB 39, 5005(1989))?<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>Thank You<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>R.Ebraahimi -- graduate student <o:p></o:p></span></font></p>
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<p class=MsoNormal><st1:place w:st="on"><st1:PlaceName w:st="on"><font size=3
face="Times New Roman"><span style='font-size:12.0pt'>Tehran</span></font></st1:PlaceName>
<st1:PlaceType w:st="on">University</st1:PlaceType></st1:place><o:p></o:p></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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