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Dear Prof. Blaha<br><br>Sorry I delete some attachment, now the size of the mail should be OK.<br><br>Thanks you very much for your reply. Yes, there are several band cross the Fermi level and contribute to the Fermi surface.<br><br>But I still have several questions.<br><br>This compound is hexagonal (176 P63/m), thus I run "hex_fs_mesh" and select "1" (i.e. plane Gamma-M-K) and put the mesh divisions as 30, and obtain the following fort.2 file:<br> 1 0 0 0 60 1.00-7.00 1.50 16 11<br> 2 2 0 0 60 1.00<br> 3 4 0 0 60 1.00<br> 4 !
6 0 0 60 1.00<br> 5 8 0 0 60 1.00<br> 6 10 0 0 60 1.00<br> 7 12 0 0 60 1.00<br> 8 14 0 0 60 1.00<br> 9 16 0 0 60 1.00<br> 10 18 0 0 60 1.00<br> 11 20 0 0 60 1.00<br> &!
nbsp; 12 22 0 &nb
sp; 0 60 1.00<br> 13 24 0 0 60 1.00<br> 14 26 0 0 60 1.00<br> 15 28 0 0 60 1.00<br> 16 30 0 0 60 1.00<br> 17 -1 2 0 60 1.00<br> 18 1 2 0 60 1.00<br> 19 3 2 0 60 1.00<br> 20 5  !
; 2 0 60 1.00<br> 21 7 2 0 60 1.00<br> 22 9 2 0 60 1.00<br> 23 11 2 0 60 1.00<br> 24 13 2 0 60 1.00<br> 25 15 2 0 60 1.00<br> 26 17 2 0 60 1.00<br> 27 19 2 0 60 1.00<br> 28 21&nb!
sp; 2 0 60 1.00<br> &nb
sp; 29 23 2 0 60 1.00<br> 30 25 2 0 60 1.00<br> 31 27 2 0 60 1.00<br> 32 29 2 0 60 1.00<br> 33 -2 4 0 60 1.00<br> 34 0 4 0 60 1.00<br> 35 2 4 0 60 1.00<br> 36 4 4 0 60!
1.00<br> 37 6 4 0 60 1.00<br> 38 8 4 0 60 1.00<br> 39 10 4 0 60 1.00<br> 40 12 4 0 60 1.00<br> 41 14 4 0 60 1.00<br> 42 16 4 0 60 1.00<br> 43 18 4 0 60 1.00<br> 44 20 4 0&!
nbsp; 60 1.00<br> 45&n
bsp; 22 4 0 60 1.00<br> 46 24 4 0 60 1.00<br> 47 26 4 0 60 1.00<br> 48 28 4 0 60 1.00<br> 49 -3 6 0 60 1.00<br> 50 -1 6 0 60 1.00<br> 51 1 6 0 60 1.00<br> 52 3 6 0 60 1.00<br> &nbs!
p; 53 5 6 0 60 1.00<br> 54 7 6 0 60 1.00<br> 55 9 6 0 60 1.00<br> 56 11 6 0 60 1.00<br> 57 13 6 0 60 1.00<br> 58 15 6 0 60 1.00<br> 59 17 6 0 60 1.00<br> 60 19 6 0 60 1.00<br> &nb!
sp; 61 21 6 
; 0 60 1.00<br> 62 23 6 0 60 1.00<br> 63 25 6 0 60 1.00<br> 64 27 6 0 60 1.00<br> 65 -4 8 0 60 1.00<br> 66 -2 8 0 60 1.00<br> 67 0 8 0 60 1.00<br> 68 2 8 0 60 1.00<br> 69 4 &!
nbsp; 8 0 60 1.00<br> 70 6 8 0 60 1.00<br> 71 8 8 0 60 1.00<br> 72 10 8 0 60 1.00<br> 73 12 8 0 60 1.00<br> 74 14 8 0 60 1.00<br> 75 16 8 0 60 1.00<br> 76 18 8 0 60 1.00<br> 77 &n!
bsp; 20 8 0 60 1.00<br
> 78 22 8 0 60 1.00<br> 79 24 8 0 60 1.00<br> 80 26 8 0 60 1.00<br> 81 -5 10 0 60 1.00<br> 82 -3 10 0 60 1.00<br> 83 -1 10 0 60 1.00<br> 84 1 10 0 60 1.00<br> 85 3 10 0 60 1.00<br>  !
; 86 5 10 0 60 1.00<br> 87 7 10 0 60 1.00<br> 88 9 10 0 60 1.00<br> 89 11 10 0 60 1.00<br> 90 13 10 0 60 1.00<br> 91 15 10 0 60 1.00<br> 92 17 10 0 60 1.00<br> 93 19 10 0 60 1.00<br> &n!
bsp; 94 21 10 0 &
nbsp; 60 1.00<br> 95 23 10 0 60 1.00<br> 96 25 10 0 60 1.00<br> 97 -6 12 0 60 1.00<br> 98 -4 12 0 60 1.00<br> 99 -2 12 0 60 1.00<br> 100 0 12 0 60 1.00<br> 101 2 12 0 60 1.00<br> 102 4 12 0 60 1.00<br> &n!
bsp; 103 6 12 0 60 1.00<br> 104 8 12 0 60 1.00<br> 105 10 12 0 60 1.00<br> 106 12 12 0 60 1.00<br> 107 14 12 0 60 1.00<br> 108 16 12 0 60 1.00<br> 109 18 12 0 60 1.00<br> 110 20 12 0 60 1.00<br> 111 22 12 &nbs!
p; 0 60 1.00<br> 112&n
bsp; 24 12 0 60 1.00<br> 113 -7 14 0 60 1.00<br> 114 -5 14 0 60 1.00<br> 115 -3 14 0 60 1.00<br> 116 -1 14 0 60 1.00<br> 117 1 14 0 60 1.00<br> 118 3 14 0 60 1.00<br> 119 5 14 0 60 1.00<br> 120 7 14 0 &nb!
sp; 60 1.00<br> 121 9 14 0 60 1.00<br> 122 11 14 0 60 1.00<br> 123 13 14 0 60 1.00<br> 124 15 14 0 60 1.00<br> 125 17 14 0 60 1.00<br> 126 19 14 0 60 1.00<br> 127 21 14 0 60 1.00<br> 128 23 14 0 60 1.00<br> 129 -8&!
nbsp; 16 0 60 1.00<br>
130 -6 16 0 60 1.00<br> 131 -4 16 0 60 1.00<br> 132 -2 16 0 60 1.00<br> 133 0 16 0 60 1.00<br> 134 2 16 0 60 1.00<br> 135 4 16 0 60 1.00<br> 136 6 16 0 60 1.00<br> 137 8 16 0 60 1.00<br> 138 10 &nb!
sp; 16 0 60 1.00<br> 139 12 16 0 60 1.00<br> 140 14 16 0 60 1.00<br> 141 16 16 0 60 1.00<br> 142 18 16 0 60 1.00<br> 143 20 16 0 60 1.00<br> 144 22 16 0 60 1.00<br> 145 -9 18 0 60 1.00<br> 146 -7 18 0 60 1.00<br> &n!
bsp; 147 -5 18 0
60 1.00<br> 148 -3 18 0 60 1.00<br> 149 -1 18 0 60 1.00<br> 150 1 18 0 60 1.00<br> 151 3 18 0 60 1.00<br> 152 5 18 0 60 1.00<br> 153 7 18 0 60 1.00<br> 154 9 18 0 60 1.00<br> 155 11 18 0 60 1.00<br> &nbs!
p; 156 13 18 0 60 1.00<br> 157 15 18 0 60 1.00<br> 158 17 18 0 60 1.00<br> 159 19 18 0 60 1.00<br> 160 21 18 0 60 1.00<br> 161 -10 20 0 60 1.00<br> 162 -8 20 0 60 1.00<br> 163 -6 20 0 60 1.00<br> 164 -4 20 0 60 1.00<br>&!
nbsp; 165 -2 20&
nbsp; 0 60 1.00<br> 166 0 20 0 60 1.00<br> 167 2 20 0 60 1.00<br> 168 4 20 0 60 1.00<br> 169 6 20 0 60 1.00<br> 170 8 20 0 60 1.00<br> 171 10 20 0 60 1.00<br> 172 12 20 0 60 1.00<br> 173 14 20 0 60 1.00<br> &nb!
sp; 174 16 20 0 60 1.00<br> 175 18 20 0 60 1.00<br> 176 20 20 0 60 1.00<br><br>With this setup I finish the calculation, attached please find the six-band which contribute to the Fermi surface.<br><br>1) The output-plot is square, could you please tell me the coordinate of the four corner in of the square. I think one is (0,0,0); another is (1/2,0,0). How about other two? Where is the x-axis in the plot? I guess the Gamma-point is located at the left-bottom corner of the square, and M-point is the right-bottom corner, right?<br><br>2) Why the lines in save_filename_64.plot.ps, save_filename_63.plot.ps is dot-line; and the lines in other files is full-line?<br><br>3) According to the attached save_filename_xx.plot.ps, the!
re is eight sheets surface between Gamma and M-point. But according to
the band-structure plotting (sorry the file is 120K, which is bigger than the allowed-limit of the mail-list, this I cannot attached it), along Gamma-M line, there are only six bands cross the Fermi-level. WHY it is not consistent with the Fermi-surface plot?<br><br>4) It is not convenient to plot the fermi-surface separately. May we combine the sheet from different bands to a single plot?<br><br>Thanks<br><br>Xiangang<br><br>> fsgen_lapw 11 146 save_filename>Message<br><br>                                            </div></body>
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