Dear Multiwfn developers
I should say thank you for the very good utilities.
But I have a problem in fining critical points between to nuclear in attached file. The code can not find the BCP bet...
Id #9 | Release:
| Updated: Jan 12 at 8:43 AM by ahmadubuntu | Created: Jan 12 at 8:43 AM by ahmadubuntu
I'm Abbey from IISER-TVM. I'm new to multiwfn and want to know the details of a particular calculation.
Actually, I have the crystal structure of a molecule and I want to calculate the dipole...
Id #8 | Release:
| Updated: Apr 18, 2016 at 7:52 AM by abbeyphilip | Created: Apr 18, 2016 at 7:52 AM by abbeyphilip
I just like to know if plotting the hamiltonian of the electronic kinetic energy K(r) and multiplying by -1 gives me exactly the same result to the one I get when I change the userfunc to 11 as des...
Id #7 | Release:
| Updated: Mar 14, 2016 at 12:32 AM by Vytor | Created: Mar 14, 2016 at 12:32 AM by Vytor
Path to Multiwfn_3.3.8: /Users/vasanthagowda/Multiwfn_3.3.8_bin_Mac/
Path to openmotif lib: /usr/local/Celler/openmotif/2.3.4/lib
But Multiwfn is looking for the libXm.3.dylib file under /usr/Op...
Id #6 | Release:
| Updated: Mar 4, 2016 at 2:05 PM by VasanthaGowda | Created: Mar 4, 2016 at 2:05 PM by VasanthaGowda
I downloaded and installed required library as well but following keep ups when I run the multiwfn ,script./Multiwfn: error while loading shared libraries: libiomp5.so: cannot open shared object fi...
Id #5 | Release:
| Updated: Feb 25, 2016 at 8:28 PM by IreshShamika | Created: Feb 25, 2016 at 8:28 PM by IreshShamika
I have generated a wfn file using the orca_2aim utility of ORCA, but I cannot open it with multiwfn. I have attached the file. Any help with this issue will be greatly appreciated.
Id #4 | Release:
| Updated: Dec 17, 2015 at 12:26 PM by cplatas | Created: Dec 17, 2015 at 12:26 PM by cplatas
I was trying to calculate the degree of charge transfer using fine grid cub files but I am always getting an error. For Coarse grid it was fine but not for medium too. My molecule is really smal...
Id #3 | Release:
| Updated: Dec 15, 2015 at 2:01 PM by ayush123 | Created: Dec 15, 2015 at 2:01 PM by ayush123
I want to plot BCP and molecular graph but the quality of graphs and text (lables) are not good at the same time in a specific format. for example, when output format is pdf, texts ...
Id #2 | Release:
| Updated: Jul 3, 2015 at 3:16 PM by ahmadubuntu | Created: Jul 3, 2015 at 3:16 PM by ahmadubuntu
I recently downloaded both the windows and linux versions of Multiwfn as I'd like to calculate the CT delta_r metric for excited states.
I succeeded in doing this both in windows and...
Id #1 | Release:
| Updated: Feb 3, 2015 at 2:45 PM by mwykes | Created: Feb 3, 2015 at 2:45 PM by mwykes