[Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".

[Haowei Peng]

Thanks all..
and sorry for my sending the mail repeatedly (I kept receiving mails which
told me that my mail was not delivered successfully...)

finally I set the calculation restart mode to "restart"...and it give a
result which seems right, at least the total energy
but I have to check the other information.

-- 
Haowei Peng
Northwestern University
Department of Physics & Astronomy
2145 Sheridan Rd.
Evanston, IL 60208-3112
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090918/3be3c622/attachment.html>