[Wien] joint error

[Torsten Andersen]

I believe that it is more likely a compiler error. I have seen some 
similar errors appearing at random on a linux system about a year back. 
Please make sure you are using a recent version of the compiler. Also: 
does it do it consistently?

Best regards,
Torsten Andersen.

Fred Nastos wrote:
> On September 14, 2004 08:59 am, taiiebeh molarooy wrote:
> 
>>Dear users:
>>
>>    I want to calculte the OPTIC of PbTiO3 in tetragonal phase.
>> but in x joint -c gives:
>>
>> {PGFIO-F-217/formatted read/unit=14/attempt to read past end of file.
>> File name = PbTiO3.kgen    formatted, sequential access   record = 512
>> In source file arbdos.f, at line number 166
>>2.280u 0.000s 0:02.73 83.5% 0+0k 0+0io 190pf+0w}
> 
> 
> Please povide more information.  The files PbTiO3.kgen and PbTiO3.outputkgen 
> may help us help you.  More likely, the file PbTiO3.struct and the mian steps 
> you took to in the calculation will tell us what you did wrong.
> 
> 
>>and in band structure give the following error:
>>
>>Commandline: x lapw1 -band
>>Program input is: ""
>>
>>[ PGFIO-F-214/formatted read/unit=0/READ not allowed for write-only file.
>> File name = stderr     formatted, sequential access   record = 0
>> In source file inilpw.f, at line number 401
>>26.130u 0.010s 0:27.53 94.9%	0+0k 0+0io 219pf+0w]
> 
> 
> It seems like some files got mixed up when you went between different
> types of calculations, so this is difficult to diagnose.
> 
> I would guess the solution is to start over.  First try only to calculate only 
> one of the band structure or optics.  I suggest the band structure first.  
> After you have a band structure, understand and trust it, should you then 
> calculate the optics.  If starting over is too drastic, maybe someone else 
> can provide some wisdom.
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/