I wanted to restart the frequency calculations when it interrupted due to power cut off, though I had .rwf file I am unable to restart the calculations, when I gave to restart the following error came, Please kindly help me.
Generating guess from densities on rwf.
Inconsistency between density and restart files.
error termination via Lnk1e in C:\G09W\1914.exe.
Looking forward for answers,
Thank you,
I was also of the impression that you wouldn't restart a Gaussian frequency calculation if it crashed/stopped half way. Something to do with it involving analytical rather than numerical calculations.
I normally just reload the last (optimised) geometry and perform a frequency calculation from scratch.
You should indeed be able to restart analytical frequencies from rwf files, although I think that functionality was a little unreliable when I tried it myself.
Shivaraj, could you post your input for the restart here?
Matthias, thanks for that information. I've just looked into it. The link to Gaussian's explanation on Freq restarting is here:
http://www.gaussian.com/g_tech/g_ur/k_restart.htm
Hello dear Anthony Nash,
Will it restart the calculations from where it has stopped previously, if I reload the file from the scratch. But I really didn't find any files in scratch except .rwf file, Please can you elaborate little how do you perform, because I am facing this problem every time.
Hello dear Matthias Heger,
I was also hoping to restart from the rwf file, but the time I give restart, the process will terminate very soon. I am attaching my Input file here Sir, Kindly check it out and help me. I Thank you both for your response.
Which commands do you use for the restart? If I am not mistaken it should work if you just keep the first three lines (those with % in front) and then only "# restart" as the fourth line. Try deleting everything below that.
I also used the same command as # restart. What do you mean by deleting everything below that. I had deleted everything in the route section by keeping # restart. Did you find any errors while running my input file?
Well, if I don't have your rwf files, I also can't try to restart your calculations. But I'll attach a modified gjf file where I deleted all inputs after the route section. Maybe those additional information is what confused Gaussian when restarting the calculation. If that input file does not work either, I am afraid I don't know what else to try. Good luck!
Hello Matthias Heger,
I followed the procedure you have mentioned here, and it did workout, I am so happy about it, I would like to thank you for the responses you made. Wish you all the very best.
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