ABINIT Discussion Forums

Greetings !! I am using ABINIT 8.10.3 in a cluster with 336 nodes, Intel Xeon SandyBridge E5-2670 processors, Lustre system for data storage and SLURM. ABINIT was compiled with intel/2018.3.222 , mkl/2018.3.222 , impi/2018.3.222 , fftw/3.3.8 , netcdf-c/4.6.1 and netcdf-f/4.4.4. "Some times"...

Dear Prof. Zwanziger, Thank you very much for the good news !! I am waiting for ABINIT 7.0.1 with the best expectations !! All the best, Luis Hi, I just ran the Gamma and L phonons of InP with PAW, with two versions of the code: 6.12.3, where I get similarly problematic results as you, and 7.0.1 (I'...

Dear Prof. Marc Torrent, I am sorry for the huge delay !! I would like to report the result of my phonon calculation using PAW with LDA. Well, the calculation goes until the end, but the calculated phonon frequencies at Gamma are completely wrong ! Just take a look: Phonon frequencies in cm-1 : - -4...

Dear Prof. Marc Torrent,

Thank you very much for your help !
I will try it and post the result.
All the best,
Luis

Dear ABINIT users and developers, I am using ABINIT 6.12.3 and considering that the release notes state that "Phonon calculations using DFPT can be done reliably with the PAW methodology, for the insulating case" I tried to do it for the L and Gamma points of InP in the zincblend phase (ch...