[Wien] GaAs.struct

[Rocquefelte]

Dear Zira,

It seems that you did not specify in your w2web that your calculation is 
complex. Then the -c option is missing in your commandline.
Session Mgmt / change info. and clic on complex calculation / save changes.
Then redo your calculations.

Regards

Xavier


muniroh a écrit :
> Dear users of wien2k.......
>
> I am running wien2k_08 version on a machine of type AMD processor with 
> 2GB RAM with single pc and operating system below UNIX (Linux-PC) with 
> g95 and mkl (l-mkl-p-10.0.1.014)....
>
> The purpose of my calculation is to get the electron density of GaAs......
>
> I am trying to calculate the electron density for GaAs where i get the 
> GaAs.struct from [wien2k (examples_structure_files).....
>
> But when i click the x lapw2 from tasks the following warning message 
> occurs are:
>
> Commandline: *x lapw2 -emin -1.0 *
> Program input is: *" "*
>
> head: cannot open `GaAs.in2c' for reading: No such file or directory
> cp: cannot stat `GaAs.in2c': No such file or
>  directory
> old1: Subscript out of range.
>
>         
>
> and the x lapw5  warning message occurs are:
>
> Commandline: *x lapw5 *
> Program input is: *""*
>
> I would be grateful if you could tell me What I have to do in this 
> situation. 
>
> thank you very much
>
> Regards,
> zira
>   
>
> between 0000-00-00 and 9999-99-99  
>
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