Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2019-12-09 11:23:17

rania zaier
Member
Registered: 2019-12-09
Posts: 2

transition density matrix (TDM)

Hello Tian Lu,
please in need help to generate TDM plot.

however, while proceeding the steps:
.fch>18>2, then i found inputfile cannot found, try again!
can you help me please!

thank you for your time.
Rania

Offline

#2 2019-12-09 13:41:53

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,629
Website

Re: transition density matrix (TDM)

I have successfully used Multiwfn 3.7(dev) based on the files you sent to me in ResearchGate to plot the TDM map, all outputted information has attached:

output.txt

As you can see, Multiwfn works normally. Please carefully compare your output to my output.

Best regards,

Tian

Offline

#3 2019-12-10 18:56:55

rania zaier
Member
Registered: 2019-12-09
Posts: 2

Re: transition density matrix (TDM)

hello,
finally i get the TDM plot, it was a problem with the old version of WFN software i think.
thank you so much for your help.
best regards.
Rania

Offline

Board footer

Powered by FluxBB