[Wien] L2main - QTL-B Error

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Mon Dec 12 16:54:15 CET 2005


>     My system is red hat linux AS 3.0 with pgi5.16 compiler,4GB memory with 2 opteron CPUs. when I calculate the example case of "fcc Ni" using wien2k_05, the stdout message is
>"LAPW0 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
>LAPW2 - FERMI; weighs written
> LAPW2 END
>L2main - QTL-B Error
>cp: cannot stat `.in.tmp': No such file or directory
>rm: cannot remove `.in.tmp': No such file or directory
>rm: cannot remove `.in.tmp1': No such file or directory"
>and stop in the first loop.
>     I recall that I have run the same case without any error using Wien2k_04(all parameters are by default). how can I fix that error in wien2k_05? and Can I trust the results calculated by wien2k_04.
>  
>
This has been discussed several times in the mailing list recently (even 
today, see a mail of Peter Blaha). Read 
http://www.wien2k.at/reg_user/faq/qtlb.html . Recent versions print out 
even more detailed information, such that you can change case.in1 
immediately.

Stefaan


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