[Pw_forum] Cannot match namelist object name ZnO

Gabriele Sclauzero sclauzer at sissa.it
Fri Jun 19 11:51:45 CEST 2009



wangqj1 wrote:
> 
> Dear pwscf users
>      When I relaxed the suppercell used pw.x ,it displayed "Cannot match 
> namelist object name ZnO",but scf calculation ends well with all the scf 
> outputs .I used  version 4.0.3 . So I want to know whether the hint 
> affect the result or not ? Whether there is no need to worry about this ?

If you feed a wrong input to pwscf your calculation may end successfully but actually 
compute something different from what you have in mind. So it is always important to 
understand all the warnings/error from the input parser, since they signal some error in 
the input file. Please either provide your input file or figure out by yourself why you 
get that warning (most probably you placed a string in the wrong place). There is a 
detailed description of input keywords in Doc/INPUT_PW.txt and plenty of examples in 
examples/ and tests/ directories

GS


>      Thanks for your help !
> Sincerely
> Q J Wang
> XiangTan University
>     
> 
> 
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| Gabriele Sclauzero, PhD Student                  |
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