Hello Robert, good to hear from you :)
> print option for lapw1 was never meant to work with mpi. > Why would you want to print such huge Hamiltonians in ascii. I need Fourier coefficients, which we use to unfold the band structure of a supercell. So far we dealt with small cases and output1 was manageable. Of course, it will be ideal to read the vector file. The work on making python to read the vector file is in progress, but moves slowly because of its binary format. In the meanwhile I wanted to try out a large supercell, get into MPI and hit the error. Best regards Oleg _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html