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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
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 …
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 …
unable to repeat the result of user guide
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I found it unable to repeat the example of benzene, I am wondering if there is any problem with the user guide (like outdated ...)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 …
Hi Iam unable to launch abinit tool please help me.
Can ABINIT be used to determine the refractive index of a molecule? If yes, how to get it??
Excuse me, why abinit tool doesn't work with "In" element?
Closed | Responses: 2
how to upload pseudopotential file (pawps)
Hello! I want to upload a pseudopotential file (paw). Is it possible?
Hello, Is it possible to save and recall the structural and run simulation options entering the input form of the tool?
AbInit NanoHub GUI
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. …
The tool gets stuck during post-processing while I try to run the default example.
How to obtain the spin density in Fe crystal bcc?
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?
Hello I am wondering if there is a feature here allow me to use my own abinit input files?
why can't Abinit work for code with Nb element
Could you please check the Abinit Tool, it can't work in case the element is Nb. Thank you!
ABINIT: First-Time User Guide
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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 …
The aninit version here is seriously outdated, error will occur while try to use it.
abinit MPI doesnot work
Open | Responses: 2
it seems that the abinit MPI does not work. it says that" abinip does not exsist "
Benjamin P Haley
Ben received his B.S. in Physics from Purdue in 1998. He worked for Cummins Engine Co and Intel before attending graduate school at UC Davis. He received a Masters in Engineering Applied Science in …
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