Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » PLOTS : HELP » 2023-10-18 06:39:21

dampage
Replies: 1

Can you kindly guide in obtaining the following plots:

1. Photoelectron spectroscopy vs Binding Energy

2.  Sensitivity of a (sensor) given the molecular structure

3. Recovery time of a (sensor) given the molecular structure

#2 Multiwfn and wavefunction analysis » forrtl: severe (24): end-of-file during read, unit 10, file » 2023-10-18 06:29:55

dampage
Replies: 1

I receive the following error message when I try to generate the IR spectrum:

11
Select type of the spectrum to plot
  1:IR  2:Raman (or pre-resonance Raman)  3:UV-Vis  4:ECD  5:VCD  6:ROA  7:NMR
-3: Directional UV-Vis
  0: Predicting color based on UV-Vis spectrum
1
Recognized as a Gaussian output file
forrtl: severe (24): end-of-file during read, unit 10, file /home/dean-foe/Downloads/Multiwfn_3.8_dev_bin_Linux/examples/GrapheneS/GrapheneSimplest.txt
Image              PC                Routine            Line        Source             
Multiwfn           00000000020A604B  Unknown               Unknown  Unknown
Multiwfn           00000000020D86F8  Unknown               Unknown  Unknown
Multiwfn           0000000000805FFD  Unknown               Unknown  Unknown
Multiwfn           00000000007FC08C  Unknown               Unknown  Unknown
Multiwfn           0000000000857350  Unknown               Unknown  Unknown
Multiwfn           0000000000431822  Unknown               Unknown  Unknown
libc.so.6          00007FB2A9429D90  Unknown               Unknown  Unknown
libc.so.6          00007FB2A9429E40  __libc_start_main     Unknown  Unknown
Multiwfn           0000000000431729  Unknown               Unknown  Unknown

This error message is for an input saved as a .txt file of the GaussView output file on a simple Graphene structure. Please help

Board footer

Powered by FluxBB