i want to make input file for compound job. as i make input files on windows and then run on linux cluster beacuse i did not install gauss view in my cluster.
Out-of-memory error in routine After all major allocation (IEnd= 8313316 MxCore= 8299170) Use %mem=33MW to provide the minimum amount of memory required to complete this step.
08 September 2017 7,348 0 View
the progress of intermediate file during structure optimization for equilibrium points on gaussian
10 November 2016 5,272 3 View
I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...
05 August 2024 8,025 7 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
DOS version.
29 July 2024 6,064 1 View
I am trying to run a restart analysis, which imports deformed configurations of parts from a generated ODB file. It runs fine in Windows OS but when I try to run it in Linux OS, it is giving some...
29 July 2024 9,572 3 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View
I need a reliable source or an example supported by excel sheet to understand Fuzzy Vikor?
27 July 2024 5,916 1 View
The Louvain method – named after the University of Louvain where Blondel et al. developed the algorithm – finds communities by optimizing modularity locally for every node’s neighborhood, then...
23 July 2024 6,659 0 View
hi, I am doing a risk analysis of a cylindrical fuselage with windows. I have applied contact interactions between the different parts, and I have applied a unit value load to a reference point,...
20 July 2024 647 2 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View