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- From: priya-g@umail.ucsb.edu
- To: forum@abinit.org
- Subject: Bug
- Date: Fri, 4 Apr 2003 02:17:39 +0200
Hi All,
I was trying to do some band structure calculations. I did the SCF total
energy calculations and then ran a non-SCf calculation for the band
structure. I got the following error in the output..
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
cgwf: converged with tan2th=????????????????
hermit: BUG -
Input Hermitian matrix has nonzero Im part on diagonal:
for component 1 Im part is 7.254468056006+257.
Action : contact ABINIT group.
Delivered 9 WARNINGs and 0 COMMENTs to log file.
leave_new : decision taken to exit ...
--Priy
- Bug, priya-g, 04/04/2003
- Re: [abinit-forum] Bug, verstraete, 04/04/2003
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