Thank you!
]]>Thank you for your nice program.
Unfortunately, Multiwfn 3.7 crashes on loading a (large) gaussian .log file.
Oppositely, Multiwfn 3.5 works fine loading the same .log file.
I want to perform the electron excitation analysis (18).
There is no problem with loading .fchk file.
There is a problem after loading the .log file, with Multiwfn 3.7.
Interestingly, this problem happens only for relatively large .log files.
In my particular case, I calculated TD-DFT excitation energies for one molecule and aggregates of two molecules, three molecules, ... , ten molecules.
Multiwfn 3.7 works fine for the .log files for up to three molecules; it crashes starting from four molecules.
Multiwfn 3.5 works fine for the .log file for four molecules.
Here is the relevant output (in the case of the calculation for four molecules):
Version 3.7, release date: 2020-Aug-14:
Please input path of Gaussian/ORCA output file or plain text file, electron excitation information will be loaded from this file
e.g. C:\lovelive\sunshine\yosoro.out
Hint: If pressing ENTER button directly, the file with identical name as input file but with .out or .log suffix will be loaded
td.log
This file is recognized as a plain text file
There are 50 excited states, loading basic information...
forrtl: severe (59): list-directed I/O syntax error, unit 10, file "here comes a path"
Image PC Routine Line Source
Multiwfn 0000000001EB474B Unknown Unknown Unknown
Version 3.5(dev), release date: 2018-Mar-18
Input the path of the Gaussian/ORCA output file or plain text file containing excitation data, e.g. C:\a.out
td.log
Analyzing the file...
There are 50 transition modes, analyze which one? e.g. 2
Thank you in advance!
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