[Pw_forum] Re:error in q2r.out

wangjunjie1981_0 wangjunjie1981_0 at 163.com
Wed Feb 28 02:51:33 CET 2007


Dear stefano
  Thank you for your answer. you say the case I have noticed . As a matter of fact the number of qpoints generating by kpoints.x is 64 .but I don't know why the number of qpoints calculating in q2r.out becomes 58 .Can you tell me what the cause  is . Thank you !
my kpoints.x file is
 
 12
    1   0.0000000  0.0000000  0.0000000   1.00
    2   0.2500000  0.1443376  0.0000000   6.00
    3   0.5000000  0.2886751  0.0000000   3.00
    4   0.2500000  0.4330127  0.0000000   6.00
    5   0.0000000  0.0000000  0.2340828   2.00
    6   0.2500000  0.1443376  0.2340828  12.00
    7   0.5000000  0.2886751  0.2340828   6.00
    8   0.2500000  0.4330127  0.2340828  12.00
    9   0.0000000  0.0000000  0.4681655   1.00
   10   0.2500000  0.1443376  0.4681655   6.00
   11   0.5000000  0.2886751  0.4681655   3.00
   12   0.2500000  0.4330127  0.4681655   6.00
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