<div dir="auto"><div><div class="gmail_quote"><div dir="ltr" class="gmail_attr"><br></div><div dir="ltr">    what does number beside 2C6 or 2C3, C2.... represent??<div>and in band symmetry information( Band symmetry, D_6h(6/mmm) point group:</div> e(  1 -  1) =    -47.33409  eV     <b>1</b>   -->   ?)  what does <b>1</b> & <b>2 </b>represent??<div><div>%%part of output file.</div><div>the symmetry operations in each class and the name of the first element:<br><br>     E        1<br>                                                                 <br>     2C6      5    6<br>                                                                 <br>     2C3      7    8<br>                                                                 <br>     C2       2<br>                                                                 <br>     3C2'     4   12   11<br>                                                                 <br>     3C2''    3    9   10<br>                                                                 <br>     i       13<br>                                                                 <br>     2S3     17   18<br>                                                                 <br>     2S6     19   20<br>                                                                 <br>     s_h     14<br>                                                                 <br>     3s_d    16   24   23<br>                                                                 <br>     3s_v    15   21   22<br>                                                                 <br><br>     Band symmetry, D_6h(6/mmm) point group:<br><br>     e(  1 -  1) =    -47.33409  eV     1   -->   ?<br>     e(  2 -  2) =    -47.33365  eV     1   -->   ?<br>     e(  3 -  3) =    -47.28209  eV     1   --> A_1g           <br>     e(  4 -  4) =    -47.27869  eV     1   --> B_2u           <br>     e(  5 -  5) =    -47.26498  eV     1   -->   ?<br>     e(  6 -  6) =    -47.26205  eV     1   -->   ?<br>     e(  7 -  7) =    -19.26259  eV     1   --> A_1g           <br>     e(  8 -  8) =    -19.24575  eV     1   --> B_2u           <br>     e(  9 -  9) =    -19.20116  eV     1   --> A_2u           <br>     e( 10 - 10) =    -19.18887  eV     1   --> B_1g           <br>     e( 11 - 12) =    -19.16539  eV     2   -->   ?<br>     e( 13 - 14) =    -19.16451  eV     2   -->   ?<br>     e( 15 - 16) =    -19.11477  eV     2   --> E_2g           <br>     e( 17 - 18) =    -19.10279  eV     2   --> E_1u           <br>     e( 19 - 20) =    -19.09577  eV     2   --> E_1g           <br>     e( 21 - 21) =    -19.08469  eV     1   --> A_2u           <br>     e( 22 - 22) =    -19.07140  eV     1   --> B_1g           <br>     e( 23 - 24) =    -19.06663  eV     2   --> E_2u           <br>     e( 25 - 25) =    -16.14063  eV     1   --> A_1g           <br>     e( 26 - 26) =    -16.13636  eV     1   --> B_2u           <br>     e( 27 - 28) =    -16.10625  eV     2   -->   ?<br>     e( 29 - 30) =    -16.10447  eV     2   -->   ?<br>     e( 31 - 32) =    -16.10016  eV     2   --> E_2g           <br>     e( 33 - 34) =    -16.09696  eV     2   --> E_1u           <br>     e( 35 - 35) =     -4.71119  eV     1   --> A_1g           <br>     e( 36 - 36) =     -4.38281  eV     1   --> B_2u           <br>     e( 37 - 37) =      2.67823  eV     1   --> B_1g           <br>     e( 38 - 39) =      4.58984  eV     2   --> E_2g           <br>     e( 40 - 41) =      4.95370  eV     2   --> E_1u           <br>     e( 42 - 42) =      5.16461  eV     1   --> A_1g           <br>     e( 43 - 43) =      5.34977  eV     1   --> A_2u           <br>     e( 44 - 44) =      6.62402  eV     1   --> B_2u           <br>     e( 45 - 46) =      8.48597  eV     2   --> E_1u           <br>     e( 47 - 48) =      9.43270  eV     2   --> E_2g           <br>     e( 49 - 49) =      9.56785  eV     1   --> B_1g           <br>     e( 50 - 50) =      9.88685  eV     1   --> A_1g           <br><br> **************************************************************************<br><br> **************************************************************************<br><div><br></div>-- <br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><font face="comic sans ms, sans-serif" size="4" color="#9900ff"><b style="background-color:rgb(255,242,204)">Thanks & Regards</b></font><div><font color="#000000" face="comic sans ms, sans-serif"><span style="background-color:rgb(255,255,255)"><b>MD NILOY KHAN</b></span></font></div><div><font color="#000000" face="comic sans ms, sans-serif"><b><u>Gmail:</u> </b><a href="mailto:khanniloy534@gmail.com" target="_blank" rel="noreferrer">khanniloy534@gmail.com</a></font></div><div><font color="#000000" face="comic sans ms, sans-serif"><b><u>Phone:</u> </b>+8801735744576, +8801619141513</font></div><div><font color="#000000" face="comic sans ms, sans-serif"><b><u>Address:</u></b> Nalua, Sakhipur, Tangail, Post Code: 1950</font></div><div><font color="#000000" face="comic sans ms, sans-serif"><b style="background-color:rgb(255,255,255)"><br></b></font></div></div></div></div></div></div>
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