ABINIT Discussion Forums

Hi there,

I need to get the renormalization factor for different open systems, atoms and molecules (not crystals!) with different KS-DFT functionals. Does anyone one of a "simple" algorithm to do this with abinit.

Your help will be greatly appreciated

Roy

Any hints how to fix the problem about the lack of "Calculation Completed" message in the log and .out files?

Thanks!

Hi, No, there is no such a message at the end of the files. By the way, while the tutorial says that abinit should be located in ~/abinit-x.x.x/src/main in my case is in ~/abinit-x.x.x/src/98_main. I do not think this represents an issue, does it? Any hints how to fix the problem about the lack of &...

Hello again: I successfully installed v.6.10.3 and the make testing_1 and make tests_in worked fine. However, I am currently following tutorial#1 and when do abinit<t1x.files>&log I do not get all the files mentioned in the tutorial. What I get instead are: log t11.in t11.out t11.outA t1x.files ...

Thanks Yan and Michele for your prompt response. I will try what you suggested. I firstly download the latest version (thanks Michele). If I need further help (hopefully no) I will let you know. Rogelio Thank you both. After a couple of tricks it worked. The make tests did what they were supposed t...

Thanks Yan and Michele for your prompt response.

I will try what you suggested. I firstly download the latest version (thanks Michele).

If I need further help (hopefully no) I will let you know.

Rogelio

Dear all: I am new to abinit. I have been trying to configure the 6.10.1 version in on of my group's server with no success. First I have typed: ./configure --enable-mpi=no FC=/opt/intel/composerxe-2011.0.084/bin/intel64/ifort So far so good. After a while I get the "go" message to continu...