From NWChem
You are viewing a single post from the thread title above
|
Clicked A Few Times
Threads 8
Posts 11
|
|
6:06:15 AM PDT - Sat, Apr 23rd 2016 |
|
Hello,
I have been calculating raman frequencies, but then when i try to identify the vibrational modes these correspond to by adding,
...
vib
reuse
animate
end
task dft optimize
task dft raman
task dft freq
The first part runs fine, I get all the freq-m* files, but then the animate option is giving me problems:
vib:animation T
could not open
file
------------------------------------------------------------------------
vib_modestep: fatal error 911
------------------------------------------------------------------------
An error occured while trying to read or write to disk space
------------------------------------------------------------------------
would anyone know how to correct this.
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC