A strange letter in the output file of GW calculation
Posted: Fri Jun 03, 2011 11:11 am
Daer all users
I applied the GW-correction on the graphene sheet but i received a strange letters in the output file like below but when i changed the ngkpt this error was disappeared. Does someone knows whats is the reason of that? Why this error will be appeared only for some k-mesh?
the part of my output file that include strange letters is as below:
k = 0.000 0.000 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
2 -16.814 -16.076 -23.436 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
3 -15.827 -15.592 -21.572 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
4 -10.207 -12.806 -16.012 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
5 -8.910 -16.985 -21.238 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
6 -5.679 -17.455 -20.688 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
7 -5.546 -17.576 -21.264 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
8 -4.955 -13.838 -15.232 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
9 -0.908 -13.134 -7.499 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
10 0.613 -3.002 -1.144 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
11 1.378 -1.458 -0.313 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
12 1.679 -0.304 -0.089 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
13 2.478 -0.896 -0.208 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
14 2.898 -0.885 -0.335 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
15 4.364 -1.133 -0.290 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
16 4.928 -1.249 -0.464 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
any suggestions?
Thanks
Peiman
I applied the GW-correction on the graphene sheet but i received a strange letters in the output file like below but when i changed the ngkpt this error was disappeared. Does someone knows whats is the reason of that? Why this error will be appeared only for some k-mesh?
the part of my output file that include strange letters is as below:
k = 0.000 0.000 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
2 -16.814 -16.076 -23.436 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
3 -15.827 -15.592 -21.572 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
4 -10.207 -12.806 -16.012 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
5 -8.910 -16.985 -21.238 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
6 -5.679 -17.455 -20.688 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
7 -5.546 -17.576 -21.264 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
8 -4.955 -13.838 -15.232 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
9 -0.908 -13.134 -7.499 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
10 0.613 -3.002 -1.144 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
11 1.378 -1.458 -0.313 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
12 1.679 -0.304 -0.089 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
13 2.478 -0.896 -0.208 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
14 2.898 -0.885 -0.335 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
15 4.364 -1.133 -0.290 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
16 4.928 -1.249 -0.464 NaNQ NaNQ NaNQ NaNQ NaNQ NaNQ
any suggestions?
Thanks
Peiman