subject:"\[SIESTA\-L\] Confusion with output"

Re: [SIESTA-L] Confusion with output

2006-07-13 Thread L. Li

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

Re: [SIESTA-L] Confusion with output

2006-07-13 Thread Andrei Postnikov

On Thu, 13 Jul 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 coordinates in output with the same values in *Bohr . | * | ** | Part of output is below, would you please help me ? Yes.