Running Gaussian on Linux

  Рет қаралды 13,007

Physical Chemistry (PChem)

Physical Chemistry (PChem)

Күн бұрын

Пікірлер: 14
@harishabibi8991
@harishabibi8991 3 жыл бұрын
Very helpful for me sir, can you please tell me how to calculate optical properties of 2D materials using Gaussian.
@physicalchemistry_pchem
@physicalchemistry_pchem 3 жыл бұрын
"optical properties" can be a wide area. If you are interested in photon absorption or emission, you may take a look at gaussian.com/td/. For video tutorials, you may take a look at kzbin.info/www/bejne/hqPNgIxmo56FeNk
@mohkaif
@mohkaif 7 ай бұрын
Very helpful video, thanks a lot🎉
@yaqoobshah2347
@yaqoobshah2347 2 жыл бұрын
Sir, can you share Gaussian 16 for collaborative research work ?
@tinhho3865
@tinhho3865 Жыл бұрын
When you teach, you should provide the files that you used to illustrate. Viewers can mimic you.
@physicalchemistry_pchem
@physicalchemistry_pchem Жыл бұрын
You are right. I put some of the files on my website: yingbin-ge.com and will add more later.
@mariusboubaousmanou8321
@mariusboubaousmanou8321 3 жыл бұрын
There are conditions to have access to these clusters?
@physicalchemistry_pchem
@physicalchemistry_pchem 3 жыл бұрын
Sorry. It's only for CWU students.
@uzairkhan6899
@uzairkhan6899 Жыл бұрын
How can we get .chk files ???
@learno5536
@learno5536 4 жыл бұрын
is it completely free?? can we use it withouth vpn??
@physicalchemistry_pchem
@physicalchemistry_pchem 4 жыл бұрын
Sorry. It's for CWU students.
@physicalchemistry_pchem
@physicalchemistry_pchem 3 жыл бұрын
In case you'd like to have a simple csh script file to run g16 more conveniently: ~/bin> more rg16 #!/bin/csh if($1 == $1:r.gjf) then set F = $1:r else set F = $1 endif g16 < $F.gjf >& $F.out
@isilzt
@isilzt 2 жыл бұрын
It doesn't work!
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