[Wien] GaAs.struct

muniroh zirafah_82 at yahoo.com
Tue Apr 15 12:46:56 CEST 2008


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


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