changing electron occupation

Closed | Responses: 0

I would like to change the electron occupation of the energy bands. I tried the command "occ", but I couldn't manage to get it working. Do you have any suggestions? Thanks

https://nanohub.org/answers/question/1157

GGA only psp for Ce?

Closed | Responses: 1

Hello! I ran the calculation with Ce and got a message: pspatm: WARNING - Pseudopotential file pspxc= 11, not equal to input ixc= 1. These parameters must agree to get the same xc in …

https://nanohub.org/answers/question/1115

mpi error

Open | Responses: 1

Tell me please how to fix this problem: after the start of my comon input file i reeceived message: ********* IMPORTANT ~ Please Read ********** On 10/08/2012 this module was retired …

https://nanohub.org/answers/question/1086

unable to repeat the result of user guide

Closed | Responses: 0

Hi,I am a new user of nanohub's GUI of ABINIT, but I found it unable to repeat the example of benzene, I am wondering if there is any problem with the user guide (like outdated ...) Thanks for any …

https://nanohub.org/answers/question/1051

Hi Iam unable to launch abinit tool please help me.

Closed | Responses: 1

https://nanohub.org/answers/question/981

Can ABINIT be used to determine the refractive index of a molecule? If yes, how to get it??

Closed | Responses: 1

https://nanohub.org/answers/question/971

Excuse me, why abinit tool doesn't work with "In" element?

Closed | Responses: 2

https://nanohub.org/answers/question/955

how to upload pseudopotential file (pawps)

Closed | Responses: 1

Hello! I want to upload a pseudopotential file (paw). Is it possible?

https://nanohub.org/answers/question/905

input options

Closed | Responses: 2

Hello, Is it possible to save and recall the structural and run simulation options entering the input form of the tool?

https://nanohub.org/answers/question/896

AbInit NanoHub GUI

Closed | Responses: 1

Hello everybody, I would like to know if the NanoHub GUI for preparing the AbInit Input file, will be sometime available for the scientific community. I'll enjoy to have it. Thank you, Calin G. …

https://nanohub.org/answers/question/846

The tool gets stuck during post-processing while I try to run the default example.

Closed | Responses: 1

https://nanohub.org/answers/question/831

How to obtain the spin density in Fe crystal bcc?

Open | Responses: 1

Where in my input file should I include the option nsppol=2 in order to obtain the spin density for example in Fe-crystalline? Or it is not possible yet on nanoHUB?

https://nanohub.org/answers/question/825

input files

Closed | Responses: 1

Hello I am wondering if there is a feature here allow me to use my own abinit input files?

https://nanohub.org/answers/question/793

why can't Abinit work for code with Nb element

Open | Responses: 1

Could you please check the Abinit Tool, it can't work in case the element is Nb. Thank you!

https://nanohub.org/answers/question/473

ABINIT: First-Time User Guide

09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley

This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss …

https://nanohub.org/resources/6874

The aninit version here is seriously outdated, error will occur while try to use it.

Open | Responses: 1

https://nanohub.org/answers/question/197

abinit MPI doesnot work

Open | Responses: 2

it seems that the abinit MPI does not work. it says that" abinip does not exsist "

https://nanohub.org/answers/question/111