[Pw_forum] error information

[Zhenyu Li]

Dear All

	I have attached the input file with this email. My starting geometry
is taken from experimental structure, I don't think it will be far from
minimum. One thing now I noticed is that I have combined the norm conserving 
pseudopotential and ultrasoft pseudopotential, will this causes serious problem?

Zhenyu LI	

======= 2003-08-28 23:52:00 您在来信中写道：=======

>Dear Zhenyu,
>
>I do not think your problem is from ecut and ecutrho. The smaller ecut will 
>result in inaccurate results, but not as serious as it stops running...
>
>Your total force is getting crazy. Are you sure your input is correct?
>Send your input file.
>
>Yanming Ma
>


=================================================
   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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