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Dear Professor Tian Lu,
I'm very grateful for your great efforts to prepare those wonderful and very useful tutorials.
Thank you once again.
Sincerely,
Dear Professor Tian Lu,
Thank you very much.
Sincerely,
I use the gaussview 5.0.9 version.
* Is there the possibility in linux the run a multiple input files at the same time ? in contrary to windows the calculation should finished for one input to start another.
Sincerely,
Dear Professor Tian LU,
First, I would like to express my thankfulness and appreciation, for your effective and very easy method to install Gaussian09 on linux OS, after a long search in the internet for a good method without finding a useful one.
I have some questions about running jobs on Gaussian09 on linux, because it's the first time i use the Gaussian09 on linux system.
* I run my frst input file by typing on the terminal : g09 file.gjf, and it's work good and i got normal termination. I would like to know how to run several input files at a time, and how to know the progress of the calculations ?
* How to install the Gaussview software on linux too ?
Sincerely,
Dear Professor Tian LU,
Thank you very much for the explanation.
Sincerely,
Hello everybody,
How to build the organometallic catalyst Cp*RuCl(PPh3)2 using gaussview software ? the bond between the ligand Cp* and the Ruthenium should be drawn as covalent bond or what ?
Sincerely,
Dear Professor Tian LU,
Thank you very much, it's been a long time looking freeware and powerful software doing this analysis.
Sincerely,
Hi everybody,
Can the program Multiwfn perform the QTAIM analysis developed by Prof. Richard Bader ? I hope that the answer is yes.
Sincerely,
Dear Professor Tian LU,
Thank you very much for your help.
Sincerely,
Hello everybody in the forum
It is necessary to use the keyword integral=ultrafine when we use the Minnesota density functional M06-2X in the optimization process ?
Should i repeat all the calculations ?
Note: I forget to use the keyword, and the optimization converged.
Thank you very much Professor Tian Lu.
Hi everybody,
I optimized a transition state (QST method), and the optimization finished normally (all the criteria are YES), but the imaginary frequency not correspond to breaking/forming bond. I don't know how to fix this situation.
Sincerely,
Anas Ouled aitouna
Currently i use Ubuntu, but i will change it to CentOS. Thank you very much for the advise Professor.
Hi everybody,
What is the best linux distribution can a computational chemist use ?
Sincerely,
Anas Ouled aitouna
Dea Professor Tian Lu,
Solved Problem, thank you very much Professor.
Sincerely,
Anas Ouled aitouna
Dea Professor Tian Lu,
I used your wonderful program IRCsplit, but the script runall.bat doesn't give me the chk files, it gave .out files.
I don't know how to correct it.
Sincerely,
Anas Ouled aitouna
Dear Professor Tian Lu,
Thank you very very much for your help and assistance.
Sincerely,
Anas Ouled aitouna
Dear Professor Tian Lu,
I work on windows 8.1 system
Dear Professor Tian Lu,
First, i want to thank you for the assistance you provide in this field for the beginners chemist like me in this. Your precious tutorials are very very helpful.
the big problem i face is how to write the script to loop all the wfn files, my programing skills are not too good, I hope you can guide me.
Sincerely,
Anas Ouled aitouna
Hello Everybody, that's my first topic in the forum.
I'm working on a reaction theoretically using Gaussian 09 software, and i need to do the ELF analysis for each point of the IRC path, i used the IRCsplit program to generate all the necessary WFN files (Thank you very much Pr. Tian Lu for the wonderful tools).
Is there a script to execute the ELF analysis for all the WFN files automatically ?
Sincerely,
Anas Ouled aitouna
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