Dear all,

Elastic code is interfaced with quantum espresso, I successfully generate the distorted structure with the setup script, but I cannot find the bash script to execute the DFT calculation, in fact there is no bash script file within ElaStic_1.0.tar.gz.
I Know that is not the forum for Quantum espresso, but i guess this forum can help.

Youssef Aharbil
Faculty of sciences ben msik, casablanca
Morocco

Thanks for the script, I ran the DFT correctly.
What about Analysing and extracting the result, I can't find any comptible script.
Thanks in advance.

Thanks didu,

However when I ran the phyton script I got the following error

$ ./ElaStic_Analyze
sh: 1: ElaStic_Analyze_Energy: not found

$ ./ElaStic_Analyze_Energy
Traceback (most recent call last):
File "./ElaStic_Analyze_Energy", line 205, in <module>
print »f, strain,' ', energy
NameError: name 'energy' is not defined

Dear all,

Any suggestion about the aforementioned error?
Thanks in advance.

Hi all,
I am in a stage of analyzing the data and when I did ElaStic_Analyze the error in the terminal was
…. Oops ERROR: The method of the calculation is NOT clear !?!?!?
Something is WRONG in the "INFO_ElaStic" file.
But, this file was also generated by the elastic tool itself. Please, help in solving this issue.
Thank You

Dear all,
Can someone bail me out of this problem. I have follow up the steps recommended by Didu above, unfortunately I ended with following error while trying to execute " ElaStic_Analyze"

error

cp: cannot stat ‘/Grace.par’: No such file or directory
Traceback (most recent call last):
File "/home/zuntu/Downloads/ElaStic_1.0/ElaStic_Analyze_Stress", line 478, in <module>
Gf = open('Grace.par', 'r')
IOError: [Errno 2] No such file or directory: 'Grace.par'

Thank you for your anticipated quick response to solve this problem.

Yusuf Zuntu
PhD Candidate
USM

Dear all,
Can someone bail me out of this problem. I have follow up the steps recommended by Didu above, unfortunately I ended with following error while trying to execute " ElaStic_Analyze"

error

cp: cannot stat ‘/Grace.par’: No such file or directory
Traceback (most recent call last):
File "/home/zuntu/Downloads/ElaStic_1.0/ElaStic_Analyze_Stress", line 478, in <module>
Gf = open('Grace.par', 'r')
IOError: [Errno 2] No such file or directory: 'Grace.par'

Thank you for your anticipated quick response to solve this problem.

Yusuf Zuntu
PhD Candidate
USM

can anyone tell me how to interface elastic with qe?