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Chronological Thread 
  • 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



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