-
density of states
Q&A|Closed | Responses: 0
Hi –
I tried to calculate the density of states using “prtdos” and “prtdosm”. From the Abinit manual it seems that “prtdosm” outputs the local DOS in...
https://nanohub.org/answers/question/1205
-
changing electron occupation
Q&A|Closed | Responses: 1
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?
Q&A|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...
https://nanohub.org/answers/question/1115
-
mpi error
Q&A|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...
https://nanohub.org/answers/question/1086
-
unable to repeat the result of user guide
Q&A|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I found it unable to repeat the example of benzene, I am wondering if there is any problem with the user guide (like outdated …)...
https://nanohub.org/answers/question/1051
-
Hi Iam unable to launch abinit tool please help me.
Q&A|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??
Q&A|Closed | Responses: 1
https://nanohub.org/answers/question/971
-
Excuse me, why abinit tool doesn’t work with “In” element?
Q&A|Closed | Responses: 2
https://nanohub.org/answers/question/955
-
how to upload pseudopotential file (pawps)
Q&A|Closed | Responses: 1
Hello!
I want to upload a pseudopotential file (paw). Is it possible?
https://nanohub.org/answers/question/905
-
input options
Q&A|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
Q&A|Closed | Responses: 1
Hello everybody,
I would like to know if the NanoHub GUI for preparing the https://nanohub.org/answers/question/846
-
The tool gets stuck during post-processing while I try to run the default example.
Q&A|Closed | Responses: 1
https://nanohub.org/answers/question/831
-
How to obtain the spin density in Fe crystal bcc?
Q&A|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
Q&A|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
Q&A|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 | | 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 default simulation (what happens if you don't change any inputs, and just hit...
-
The aninit version here is seriously outdated, error will occur while try to use it.
Q&A|Open | Responses: 1
https://nanohub.org/answers/question/197
-
abinit MPI doesnot work
Q&A|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
-
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...
https://nanohub.org/members/17286