[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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