[Pw_forum] error information
Zhenyu Li
zyli at sina.com
Wed Aug 27 16:53:51 CEST 2003
Dear PWSCF users
When using PWSCF 1.2.0 do some geometry optimization,
I got the following error message:
-------------------------------------------------------------------------------------
iteration # 1 ecut= 24.00 ryd beta=0.30
Davidson diagonalization with overlap
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cdiaghg : error # 730
info =/= 0
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
--------------------------------------------------------------------------------------
What's the problem of my calculations?
Best wishes
Zhenyu LI
=================================================
Zhenyu LI
Ph.D. Candidate
Open Laboratory of Bond Selective Chemistry,
University of Science and Technology of China,
Hefei, Anhui, 230026,
People's Republic of China
Tel.: 86-551-3603748,3603418
Fax.: 86-551-3602969
http://www.bsc.ustc.edu.cn/~zyli/whoami/
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