[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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