[RMCProfile-users] Initiating a RMCProfile calculation
Chun Mann Chin
c.chin at sheffield.ac.uk
Wed Jan 29 14:42:54 GMT 2020
Dear all,
I am a new RMCProfile user. I am working on a project where I focus on the
short-range cation ordering within a material, and my goal is to use
RMCProfile to create a supercell that can account for the PDF data
collected.
I was able to generate a supercell, albeit very small, with a random
distribution of cations. I tried to initiate a RMCProfile calculation, but
I've got an error as shown below:
forrtl: severe (59): list-directed I/O syntax error, unit -5, file Internal
List-Directed Read
Image PC Routine Line Source
rmcprofile.exe 0063982A Unknown Unknown Unknown
rmcprofile.exe 005B869A Unknown Unknown Unknown
rmcprofile.exe 005B789B Unknown Unknown Unknown
rmcprofile.exe 005C44B6 Unknown Unknown Unknown
rmcprofile.exe 005C2F12 Unknown Unknown Unknown
rmcprofile.exe 004054C5 _MAIN__ 456 rmcprofile.f90
rmcprofile.exe 00676323 Unknown Unknown Unknown
rmcprofile.exe 00620209 Unknown Unknown Unknown
KERNEL32.DLL 76DA6359 Unknown Unknown Unknown
ntdll.dll 77BC7B74 Unknown Unknown Unknown
ntdll.dll 77BC7B44 Unknown Unknown Unknown
Unfortunately, I couldn't figure out where I made my mistake. I should be
extremely grateful if you could please advise me on this matter.
Best wishes,
Andy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20200129/eb69dcfc/attachment.htm>
More information about the rmcprofile-users
mailing list