ABINIT Discussion Forums

Dear Guangfu Luo, It seems to me (after successful re-compilation and tests) that the problem may be with my computing system. What are the specs of the system that you used to successfully run my input? If I can't get my own system running, would it be possible for you to send me the output files t...

Guangfu Luo, Thank you for your reply. I am relieved to see that the problem does not appear to be my input parameters. I have run the basic tests (tests_in, tests_libxc, tests_fast) as well as the response function tests (tests_v2). There are also do not appear to be errors during the use of config...

Hi all, I posted this on the message board under a different topic, but haven't received any replies so I thought I'd try here as well. I am attempting to run anaddb (interested in raman) for calcite with a rhombohedral primitive cell. I have been getting segmentation faults. They are not always in ...

Hi all, I am attempting to run anaddb (interested in raman) for calcite with a rhombohedral primitive cell. I have been getting segmentation faults. They are not always in the same place in the code, but they all seem to boil down to "syntax errors" in the fortran files (which I know canno...

Simon,
Thanks so much. I updated my abinit software and was able to run the code!
Best,
Lonia

Hi all, I am attempting to generate CaCO3 wavefunctions in order to compute the CaCO3 raman spectrum. I am generating a very strange error when I input the rhombohedral primitive CaCO3 cell into abinit. My inputs with respect to the primitive cell are: #Definition of lattice parameters, space group ...

This is not a problem, more of a general query put to the community's expertise for help. I see (from the tutorials, and also because it's relatively straightforward) how to produce the LO and TO mode raman tensors. How can I go from this output to a complete, computational raman spectrum. I need to...

Hey all, I have successfully installed Abinit-6.4.1 on my machine, running Ubuntu. Everything seems to be fine, the tests all seem to run fine but then when I try to complete the tutorials, it's as if the code isn't doing anything. I use abinit <t1x.files>& log and a log file is produced in my &...