[Wien] error in Xdstar

Saeid Jalali s_jalali_a at yahoo.com
Fri Apr 14 10:01:07 CEST 2006


        I know this is too late, but I hope to be kindly excused the delay on not responding earlier.
   
  >  There were four error files(dstar.error, Lapw0.error, Lapw1.error and Lapw2.error) I check them and all of them were empty.
   
  
  After a successful cycle of the scf, two other empty error files of lcore and mixer programs also at least must be existed.
   

    >You mean by saying "there is no definite error" that I can ignore the errors and also my data that I have got is true.
   
  Simple answer is: yes the empty errors do not show errors in your calculations. However, I cannot within this given information confirm that all your data are physically correct.
   

    Sincerely yours

    S. Jalali.

    


    On 4/5/06, Saeid Jalali <s_jalali_a at yahoo.com> wrote: 
      You would look at the sizes of the error files using the lse command. If the error files are empty, there is no a definite error in your calculations.

     

    Your,

    S. Jalali

    
Amin Babazadeh <babazade at gmail.com > wrote:


      Dear Dr.

    I am running wien2k_03 on a Pentium 4 computer.I didn't used fortran compiler in installation time but after installation of wien2k I run hydrogen case with simple cubic structure and the software did it successfully without any problem.But when I did another case (Li,simple cubic structure), wien2k run successfully until I arrived to Xdstar initialization in this part wien2k run without any problem(It means that it didn't show any error) but when i looked to file that had been saved there was a file with this name ( xdstar.error) and now I don't know if my data that I have gotten  is true or not?

    I will appreciate if you help me.

    sincerely yours

    -- 
AMIN 


   






Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.      :+98-0311-793 2435
Office             :+98-0311-793 2430
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E-mail             :s_jalali_a at yahoo.com
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