Re: [SIESTA-L] Confusion with output

Hai Ping The exact output coodinates are shown below the line of outcoor: Atomic coordinates (Ang): in each CG move. Lan Li On Jul 13 2006, lan haiping wrote: Hi, All! I have a confusion with siesta's output . I have set the AtomicCoordinatesFormat to* Ang*, But i found the atomic

[SIESTA-L] Siesta-2.0 parallel version

Dear all I have got mpi, blacs, scalapck libraries in my Linux system. siesta-2.0 has also been compiled into the system. a calculation can be run on multiple processors. However, the output file shows that the code is SERIAL version and Running in serial mode. What is wrong with the siesta