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<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">Hi all,<o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black"><o:p> </o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">May I know if it is possible for PWscf to compute the polarization in the (111) direction using
<st1:State w:st="on"><st1:place w:st="on">Berry</st1:place></st1:State>’s phase calculation?<o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black"><o:p> </o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">I understand that gdir=1, 2, 3 is available for the directions of the 1<sup>st</sup> , 2<sup>nd</sup> and 3<sup>rd</sup> reciprocal
lattice vectors. What about directions such as (110) and (111)?<o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black"><o:p> </o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black"><o:p> </o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">Freda Lim<U1:P></U1:P></span></font><font color="black"><span style="color:black"><o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">Institute of High Performance Computing<U1:P></U1:P></span></font><font color="black"><span style="color:black"><o:p></o:p></span></font></p>
<p class="MsoNormal"><st1:street u2:st="on"><st1:Street w:st="on"><st1:address w:st="on"><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;
font-family:Arial;color:black">1 Fusionopolis Way, #16-16</span></font></st1:address></st1:Street></st1:street></st1:address><span class="apple-converted-space"></st1:Street><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;font-family:Arial;color:black"> </span></font></span><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;font-family:Arial;
color:black">Connexis<U1:P></U1:P></span></font><font color="black"><span style="color:black"><o:p></o:p></span></font></p>
<p class="MsoNormal"><st1:place w:st="on"><st1:country-region u2_x003a_st="on" w:st="on"><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;
font-family:Arial;color:black">Singapore</span></font></st1:country-region></st1:place><span class="apple-converted-space"><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;font-family:Arial;color:black"> </span></font></span><font size="2" color="black" face="Arial"><span style="font-size:10.0pt;font-family:Arial;
color:black">138632<U1:P></U1:P></span></font><font color="black"><span style="color:black"><o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" color="black" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:black">Email:<span class="apple-converted-space"> </span><a href="mailto:limch@ihpc.a-star.edu.sg" title="blocked::mailto:limch@ihpc.a-star.edu.sg">limch@ihpc.a-star.edu.sg</a><U1:P></U1:P></span></font><font color="black"><span style="color:black"><o:p></o:p></span></font></p>
<p class="MsoNormal"><font size="2" face="Arial"><span style="font-size:10.0pt;
font-family:Arial"><o:p> </o:p></span></font></p>
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