ABINIT Discussion Forums

Jonathan,

Thanks for the careful inspection of the problem. Fortunately, the support has already compiled a new version of abinit (6.4.1) in cineca sp6 therefore I do not have to compile it myself. The input file works for me too!

Thanks,
Marton

I know that running a calculation with a 0x0xN grid is meaningless I just thought that it is reset to a meaningful number. Anyway, I couldn't make it work. It crashed as usual. See below the input file I tried to run on 5 processors. I used fhi lda pseudos for Si and H (I think quite similar to thos...

Hi Jonathan, I don't have that FFT mesh part in my log file (is it supposed to be there?). Anyway, I'm not sure that this causes the problem. Here is the complete WARNING message: getng : WARNING - The second and third dimension of the FFT grid, 0 0 were imposed to be multiple of the number of proce...

Dear all, I am dealing with molecules in big supercells therefore I only use one k-point. However, I need to obtain huge number of unoccupied states, which could be quite time consuming. To this end, I decided to try to parallelize non self-consistent calculations over bands after running a self-con...