[SIESTA-L] constructing the full density matrix from *.DM

Dear Siesters! Does the *.DM file contain all the information needed to construct the density matrix in full form? Converting the DM file with Toby White´s program (in the mail list 31 august 2005) to readable format it indeed looks so since the file starts with a number of integers. In that

[SIESTA-L] standard input-INPUT_DEBUG

Hallo, I have compiled successfully the parallel 2.0.1 siesta version, but the problem is that the program, does not read the standard input unless I have renamed the input file to INPUT_DEBUG. As I have seen in your archive list this is due to the MPI implementation (I am using ScaliMpi).

[SIESTA-L] Problems with band structure output

Hi, I've encountered a problem when calculating the band structure with SIESTA. When I try to calculate it in parallel, the program solves the SCF equations and then just does nothing - the processes are still there but they are idle. I'm doing all this on an 64-CPU HP SuperDome under HP-UX11i