Raman and vibrational modes


Clicked A Few Times
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.

Forum Vet
directory location of permanent files
Did you set the value of pemanent_dir, so that files generated from previous runs are accessible?

http://nwchemgit.github.io/index.php/Release66:Top-level#PERMANENT_DIR


Forum >> NWChem's corner >> Running NWChem