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#1 Re: Multiwfn and wavefunction analysis ? PLOTTING RDG ISOSURFACE ? 2023-07-30 17:55:41
Alright sir I will try..
#2 Multiwfn and wavefunction analysis ? PLOTTING RDG ISOSURFACE ? 2023-07-30 09:13:57
- GODWINI
- Replies: 2
DEAR PROFESSOR,
WHILE PLOTTING RDG ISOSURFACE FOR MY COMPOUND IN VMD THE ISOSURFACES LOOKS PALE WHITE IN COLOUR WITHOUT ANY COLOUR DIFFERENCES..WHAT COULD BE THE REASON PLEASE GUIDE ME..I HAVE ATTACHED THE IMAGE THAT I'VE GOT
#3 Re: Multiwfn and wavefunction analysis ? PLOTTING BONDS BETWEEN ATOMS IN ELF AND LOL MAP ? 2022-10-04 07:20:06
Sir, I have succeeded in plotting all interatomic bonds to my previous molecule but now forgot the steps.
#4 Multiwfn and wavefunction analysis ? PLOTTING BONDS BETWEEN ATOMS IN ELF AND LOL MAP ? 2022-09-30 07:56:35
- GODWINI
- Replies: 3
Respected Professor,
While plotting ELF & LOL map using Multiwfn, I find it difficult to display all bonds between atoms and bonds are shown only between two atoms. What comment must be given in order to plot all bonds between atoms..please help..
#5 Re: Multiwfn and wavefunction analysis ? PLOTTING ALIE MAP ? 2022-07-14 06:31:30
OKAY SIR. BUT WHAT ABOUT THE BAT FILE IN THE SCRIPTS FOLDER?
#6 Multiwfn and wavefunction analysis ? PLOTTING ALIE MAP ? 2022-07-14 01:16:46
- GODWINI
- Replies: 3
RESPECTED SIR,
I COULDN'T FIND ALIE_extiso.bat and ALIE_extiso.txt IN THE EXAMPLES/SCRIPT FOLDER AS PER THE MANUAL. I CAN FIND ALIE_ISOEXT FILE AND WINDOWS BATCH FILE ALONE.
#7 Re: Multiwfn and wavefunction analysis ? PLOTTING ELF MAP ? 2022-07-07 10:03:08
Thank you very much sir...I will try.
#8 Multiwfn and wavefunction analysis ? PLOTTING ELF MAP ? 2022-07-07 06:47:52
- GODWINI
- Replies: 2
Dear Sir,
Is there a way to mark the atom numbers in ELF map too as in LOL coloured map?
#9 Re: Multiwfn and wavefunction analysis ? PLOTTING COLOUR SCATTER MAP IN NCI ANALYSIS ? 2021-07-16 01:17:31
Thank you very much sir
#10 Multiwfn and wavefunction analysis ? PLOTTING COLOUR SCATTER MAP IN NCI ANALYSIS ? 2021-07-14 15:41:48
- GODWINI
- Replies: 2
Dear Sir..
I've followed the illustrations given in the multiwfn manual and generated post script file from gnuplot for NCI analysis..But I couldn't open the script file using Acrobat or Irfanview..Could you please send me the link to download ghostscript for Irfanview...
Regards
Godwini
#11 Multiwfn and wavefunction analysis ? GENERATING FCH FILE ? 2021-07-02 15:23:56
- GODWINI
- Replies: 3
Hello Sir..
While generating fch file from checkpoint file, do I need to write .fch extension while saving output file..?Do I need to save the output file as gaussian output file...?
#12 Multiwfn and wavefunction analysis ? PLOTTING ELF ? 2021-06-22 16:19:47
- GODWINI
- Replies: 1
Respected Sir..I am first time user in Multiwfn..While plotting ELF plane map, certain ring systems and certain atoms of my molecule is not showing properly..Like it is looking as a 2D diagram..How can I get ELF plot for my whole molecule..please help..
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