ABINIT Discussion Forums

Hello, I have some experience with the points you mentioned. >>>> find precise file size which starts abinit crashing (probably an mpi problem actually) ABINIT prints out approx. size of the WF file in the log file (I do not know how that is estimated). I found that for estimated file sizes < 1GB MP...

Hello, This is related to a previous post on the forum (http://forum.abinit.org/viewtopic.php?f=9&t=356). I have similar experience and would appreciate if anyone can suggest a solution. I have a large supercell with 128 atoms and the problems arises when the code starts to write the WF file. I ...

Hello Everyone, I am running a constrained LDA calculation (manually specifying occupation numbers) for a 128 atom supercell. Since the convergence with k-point parallelization is quite slow I would like to take advantage of band/k-point/FFT parallelization. So I used the following input variables i...