Re: [SIESTA-L] Confusion with output

Thank you ! I just found my wrong typing for it after submitting this message. Regards, hai-ping On 7/13/06, Andrei Postnikov <[EMAIL PROTECTED]> wrote: On Thu, 13 Jul 2006, lan haiping wrote: | Hi, All! | | I have a confusion with siesta's output . | I have set the AtomicCoordinatesFormat

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 coor

Re: [SIESTA-L] Confusion with output

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.

[SIESTA-L] Confusion with output

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 ? regards, Hai-Ping *Input :* ** *AtomiCoordinatesFormat Ang %