[Pw_forum] The problem of calculating electron localization function (ELF) in QE-4.2.1

[chenjie gu]

Dear Jiayu,

even so, I can not do the calculation because of the error as follows,
At line 81 of file error_handler.f90
Fortran runtime error: Read-only file system
At line 81 of file error_handler.f90
Fortran runtime error: Read-only file system
At line 81 of file error_handler.f90
Fortran runtime error: Read-only file system
At line 81 of file error_handler.f90
Fortran runtime error: Read-only file system
At line 81 of file error_handler.f90
Fortran runtime error: Read-only file system


2010/10/26 jiayudai <daijiayu at nudt.edu.cn>

> Dear developers,
>
> Recently, when i was calculating the ELF using the new version of code, i
> found that there were some problems. The elf using 4.2.1 code was not right,
> the values were from 0.0 to 1.0, but the exact values should be from 0.5 to
> 1.0. Besides, when i changed to use the 4.0.5 code, the values were right..
> I diff the two source codes, there are some difference in them. So, could
> you please fix the problem in the new code?
>
> Thanks.
>
> Jiayu
> ----------------
> -------------------------------------------
> Jiayu Dai
> Department of Physics
> National University of Defense Technology,
> Changsha, 410073, P R China
> -----------------------------------------
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
Yours Regards,
chenjie GU
EEE,Nanyang Technoligical University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20101027/12ca49b0/attachment.html>