How to restart the gaussian calculation|| Gaussian Error Messages || Convergence failure in Gaussian

#howtorestartgaussianjob #gaussianerror #gaussianerror

1. "Restart" restarts a previously-failed optimization via (checkpoint file) .chk and a previously-field frequency via (read-writ file) .rwf. G09 and G16 can do the restart an analytic freq work if it can find out the .rwf file (If you have used %rwf=X.rwf ), otherwise you have to start it from the beginning.
For restart, Keep (%chk, %mem, %nprocshared, %rwf) but use "Restart keyword" in the route section.
2. This will restart optimization from the last geometry from the .chk and then start the frequency calculations from the beginning.
Take a copy of the original input file and add:
#Geom=Checkpoint guess=read (Reads the initial guess from the .chk and it's a way to switch from one basis to another) or
#Geom=AllCheckpoint (Reads the geometry, charge, multiplicity and title from the .chk and it's used to start at a different level).
3. You can open the output file (.log) in gaussview, save the last geometry and then run gaussian again without any OPT, but just do single-point energy + frequency calculations. This will also start the frequency calculations from the beginning.

[mhammedthiabat]

Very good informations and helpful.
Thank you dr and wish you all the best in your channel.

[abraouf]

Out-of-memory error in routine PCMQM2 in guassian

[patelpoonam]

But yahi process se start karte hai calculation fir bhi error hi aati hai please help me

[kubrakaraogluuzun]

This method is not a restart method, this is run the jop again.

[vjjqsts]

I have no last geometry. Then what should I do?