Grimme-D3 is not working in QE?

Anjali Singh @Anjali-Singh-20

16 January 2019 1 893 Report

Hi All,

I am trying to use grimme-d3 in QE-6.2 but it gives a error that "program stopped due to: functional name unknown".

Any suggestions to fix it?

Prabhat Prakash

You are probably running it with b3lyp, right?

Badges
Science topic

Similar topics
Computer Science
Program

More Anjali Singh's questions See All

How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?

09 August 2024 7,718 0 View

Please explain how the plastic input value should be considered from the true stress-strain curve for the bilinear elastoplastic material model ?

I am working on Abaqus/Explicit(Quasistatic ) for the deformation of the auxetic structure model. Please explain how the plastic input value should be considered from the true stress-strain curve...

05 August 2024 454 3 View

How to increase citation in Research Gate?

How to enhanced h-index in Research Gate?

04 August 2024 3,368 4 View

How to completely dissolve soy lecithin?

Hello, I'm looking to dissolve soy lecithin in order to create a liposome. I've tried using various solvents like pure ethanol, methanol, and a mixture of ethanol and methanol but they didn't...

02 August 2024 6,980 4 View

Have you heard about Technological Surveillance on Oceanographic Research Vessels?

It is important to highlight that technological surveillance on oceanographic vessels is a collaborative effort in which different specialists work together to effectively leverage technology in...

31 July 2024 1,633 0 View

How to do wavelet transform of EXAFS data?

I want to do wavelet transform of some compounds for their comparative study? Kindly help me in this regard and provide with proper procedure.

31 July 2024 4,170 0 View

Following click reaction in cell lysates, protein is immobile and remains at the top of the gel in SDS-PAGE?

I am using CuBr/THPTA for a click reaction in total cell lysates. I am facing issues with my protein sample in non-reducing SDS-PAGE where it's not migrating properly and most of it remains at the...

29 July 2024 950 4 View

How to use energy flexibility in inventory modeling?

29 July 2024 2,192 5 View

I want to get updates regarding international law, international trade law, international institutions and human rights etc?

Please send me updates regarding the above-mentioned areas in the question mark?

28 July 2024 5,197 3 View

What is the principle/mechanism behind aging of carbon (graphite) containing refractory mix for isostatically pressed refractories?

The resin bonded carbon containing refractories are aged before use. How time of aging is determined? And mechanism behind aging.

23 July 2024 3,205 0 View

How to solve g_mmpbsa error?

Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out

07 August 2024 6,066 0 View

How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

07 August 2024 9,508 1 View

What is the Name of my Mother in law?

Chimnya

05 August 2024 6,947 1 View

Does continues partial charging/discharging do any harm to the BESS performance and degradation?

For a grid connected BESS (lets say 100 MW/200 MWh system, LFP battery), if we charge the BESS in such a way that whenever we can access power from the solar that will charge the BESS. Hence it...

01 August 2024 9,903 7 View

How to Post-fix Mice pup's brains?

I need to Postfix mice brains. I slice the brains using microtome at 40 microns. These are Postnatal days 7, 11, 14, and 21. I am using half the brain for other analysis, so I need to fresh freeze...

31 July 2024 1,123 4 View

Merging profiles after change in name due to marriage?

Hello- I have two profiles in ResearchGate. One under my married name of Kristina Secnik and one under my married name of Kristina S Boye or Kristina Boye. How do I merge my publications so that...

29 July 2024 4,426 1 View

Are students in the MBA program in Fisheries Enterprises Management eligible to work in the aquaculture industry abroad?

Are students in the MBA program in Fisheries Enterprises Management eligible to work in the aquaculture industry abroad? Could you explain the foreign countries interested in recruiting...

28 July 2024 8,378 2 View

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program?

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...

28 July 2024 9,165 2 View

Someone have the key or the installer of the program Mx pro 3000 (PCR real time)?

I need to install this program

25 July 2024 4,756 0 View

Has the Affordable Connectivity Program Helped You/Your Community? And Would Bulk Tablets on a Similar Program Help Your Business?

Do You Believe VP Harris Would Show Empathy to Tech Companies in Her Administration as POTUS? I ask in light of the fact that, the ACP was not re-funded this round. So many and businesses need...

24 July 2024 4,732 3 View