-esp.cube and -esp.cube eld.cube files
Just Got Here
9:40:57 AM PST - Mon, Feb 3rd 2020
dear all,

I used the

property
  esp
end

keyword and I got an -esp.cube file as well as an -esp.cube_eld.cube file.

Does the -esp.cube file contain the electrostatic potential? What are the contents of the other cube file?

Forum Vet
3:34:23 PM PST - Tue, Feb 4th 2020
Christos,
Could you post the complete input files?
The files you are reporting require the input keyword "electrondensity" to be specified

Just Got Here
10:34:24 AM PST - Fri, Feb 7th 2020
Thank you for your note. Here you go, I am using NWChem 6.6, 
############# FREQUENCY

freq
        animate
end

############# TASKS

set "ao basis" large

dft
        vectors output nnk-diazonium-ion-1-04-009-5-04-007.movecs
end

task dft

task dft freq

############# PROPERTY

property
        vectors nnk-diazonium-ion-1-04-009-5-04-007.movecs
        nbofile
        esp
        grid pad 4.0 ngrid 100 output nnk-diazonium-ion-1-04-009-5-04-007-esp.cube
        aimfile
end

############# TASKS

task dft property

############# DPLOT

dplot
        vectors nnk-diazonium-ion-1-04-009-5-04-007.movecs
        LimitXYZ
        -10 10 100
        -10 10 100
        -10 10 100
        spin total
        gaussian
        output nnk-diazonium-ion-1-04-009-5-04-007-chargedensity.cube
end

############# TASKS

task dplot

############# DPLOT
dplot
        vectors nnk-diazonium-ion-1-04-009-5-04-007.movecs
        LimitXYZ
        -10 10 100
        -10 10 100
        -10 10 100
        spin total
        gaussian
        output nnk-diazonium-ion-1-04-009-5-04-007-spindensity.cube
end

############# TASKS

task dplot

############# DPLOT

dplot
        vectors nnk-diazonium-ion-1-04-009-5-04-007.movecs
        LimitXYZ
        -10 10 100
        -10 10 100
        -10 10 100
        spin total
        orbitals view; 1; 46;
        gaussian
        output nnk-diazonium-ion-1-04-009-5-04-007-homo.cube
end

############# TASKS

task dplot

############# DPLOT

dplot
        vectors nnk-diazonium-ion-1-04-009-5-04-007.movecs
        LimitXYZ
        -10 10 100
        -10 10 100
        -10 10 100
        spin total
        orbitals view; 1; 47;
        gaussian
        output nnk-diazonium-ion-1-04-009-5-04-007-lumo.cube
end

############# TASKS

task dplot

############# RAMAN

raman
        normal
        lorentzian
end

############# TASKS

#task dft raman

Just Got Here
10:35:32 AM PST - Fri, Feb 7th 2020
I apologize, during copying and pasting the # comment sign became 1.

Forum Vet
11:05:05 AM PST - Mon, Feb 10th 2020
This input does not seem to generate any -esp.cube_eld.cube file.
As I mentioned in an earlier posting, you need the keyword "electrondensity" to generate the file *eld*cube


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