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position of ions in cartesian coordinates  (Angst):
   0.00010557  6.09491793  0.00000000
   5.27830106  3.04755039  8.45625352
  10.55691882  6.09491793  0.00000000
  15.83511431  3.04755039  8.45625352
  -5.27830106 15.23738625  0.00000000
  -0.00010557 12.19001871  8.45625352
   5.27851219 15.23738625  0.00000000
  10.55670768 12.19001871  8.45625352
   0.00010557  6.09491793 16.91250705
   5.27830106  3.04755039 25.36876057
  10.55691882  6.09491793 16.91250705
  15.83511431  3.04755039 25.36876057
  -5.27830106 15.23738625 16.91250705
  -0.00010557 12.19001871 25.36876057
   5.27851219 15.23738625 16.91250705
  10.55670768 12.19001871 25.36876057
   0.00010557  6.09491793  6.47072520
   0.00010557  6.09491793 23.38323225
  -5.27830106 15.23738625  6.47072520
   5.27830106  3.04755039 31.83948577
  10.55691882  6.09491793  6.47072520
  10.55691882  6.09491793 23.38323225
  -0.00010557 12.19001871 14.92697872
  15.83511431  3.04755039 31.83948577
   5.27830106  3.04755039 14.92697872
  -5.27830106 15.23738625 23.38323225
   5.27851219 15.23738625  6.47072520
  -0.00010557 12.19001871 31.83948577
  15.83511431  3.04755039 14.92697872
   5.27851219 15.23738625 23.38323225
  10.55670768 12.19001871 14.92697872
  10.55670768 12.19001871 31.83948577



--------------------------------------------------------------------------------------------------------


k-point  1 :  0.12500.12500.2500  plane waves: 211018
k-point  2 :  0.2500-.12500.2500  plane waves: 211018
k-point  3 :  0.37500.12500.2500  plane waves: 211054
k-point  4 :  0.5000-.37500.2500  plane waves: 211054
k-point  5 :  0.12500.50000.2500  plane waves: 211054
k-point  6 :  -.37500.12500.2500  plane waves: 211024
k-point  7 :  -.25000.37500.2500  plane waves: 211024
k-point  8 :  0.12500.25000.2500  plane waves: 211024
k-point  9 :  -.12500.12500.2500  plane waves: 210972
k-point 10 :  0.00000.12500.2500  plane waves: 210972
k-point 11 :  0.37500.37500.2500  plane waves: 211068
k-point 12 :  -.2500-.37500.2500  plane waves: 211068
k-point 13 :  -.37500.37500.2500  plane waves: 211042
k-point 14 :  0.00000.37500.2500  plane waves: 211042

maximum and minimum number of plane-waves per node : 211068210972

maximum number of plane-waves: 211068
maximal index in each direction:
   IXMAX= 33   IYMAX= 33   IZMAX= 52
   IXMIN=-33   IYMIN=-33   IZMIN=-53

NGX is ok and might be reduce to 134
NGY is ok and might be reduce to 134
NGZ is ok and might be reduce to 212
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fzx2008: ½ð±Ò+1, лл»ØÌû£¡ 2013-03-13 14:45:46
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4Â¥: Originally posted by lan784846970 at 2013-03-11 09:17:06
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