TURBOMOLE Users Forum

TURBOMOLE Modules => Treatment of Solvation Effects with COSMO => Topic started by: Ian K on October 07, 2010, 07:06:42 PM

Title: COSMO Write_ccf error: -6
Post by: Ian K on October 07, 2010, 07:06:42 PM

I'm running ridft with COSMO on a thorium and water system, and after the SCF converges, I get the following:

Code: [Select]

End of SCF iterations
 COSMO: write data to file cosmo_transfer.tmp
 COSMO: write_ccf error:  -6

   convergence criteria satisfied after    3 iterations
I have write access to the directory it's trying to create this file in, and, indeed, the file cosmo_transfer.tmp seems to have been created and filled with what I assume is nontextual data. So, does anyone know what this error means, and whether I should be worried about it?