[Wien] Structural relaxation

[Mona Rahimian]

Thanks so much Mr.Abo
 -- 
Mona Rahimian MSc Student
Physics Department,
College of Sciences
Shiraz University, Shiraz, Iran
E-mail address:rahimian91 at ymail.com 

      From: Gavin Abo <gsabo at crimson.ua.edu>
 To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
 Sent: Saturday, 27 December 2014, 10:35:16
 Subject: Re: [Wien] Structural relaxation
   
 The WIEN2k program is trying to run the lapw0 executable file in the directory "/usr/local/codes/WIEN2K-13.1/", but it cannot run or find it (i.e., command not found).
 
 Most likely you can solve the problem either by changing the PATH [1] (e.g., $WIENROOT in .bashrc) so that it points to the directory with the lapw0 executable file or you need to put the lapw0 executable file in that directory (/usr/local/codes/WIEN2K-13.1/).
 
 [1]https://help.ubuntu.com/community/EnvironmentVariables#Session-wide_environment_variables
 


 On 12/27/2014 3:25 AM, Mona Rahimian wrote:
  
  hi users I have this error when I want to run scf: ' usr/local/codes/WIEN2K-13.1/lapw0 command not found error: command /usr/local/codes/WIEN2K-13.1/lapw0 uplapw0.def failed' can you help me to solve this error? thanks
       -- 
  Mona Rahimian MSc Student
  Physics Department,
  College of Sciences
  Shiraz University, Shiraz, Iran
  E-mail address:rahimian91 at ymail.com    
 
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