[Pw_forum] problem in nmr calculation
Jones Tsz-Kai Wan
jwan at phy.cuhk.edu.hk
Mon Nov 23 17:58:58 CET 2009
Dear gipaw users,
I encountered the following error during nmr calculation:
------------------------------------------------------------------------
Computing the magnetic susceptibility isolve=0 ethr=0.1000E-09
k-point # 1 of 26 pool # 1
k-point # 2 of 26 pool # 1
k-point # 3 of 26 pool # 1
k-point # 4 of 26 pool # 1
k-point # 5 of 26 pool # 1
k-point # 6 of 26 pool # 1
k-point # 7 of 26 pool # 1
k-point # 8 of 26 pool # 1
k-point # 9 of 26 pool # 1
k-point # 10 of 26 pool # 1
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4785
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
ATTENTION: ik= 10 ibnd= 20 eigenvalues differ too much!
19.9838 19.4793
------------------------------------------------------------------------
What is the reason of this and how can I avoid this?
--
Best regards,
Jones
-------------------------------------------
All work and no play makes Jones a dull boy
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