[Pw_forum] the magnetizan calculation

[Stefano Baroni]

I don't - SB

On Apr 4, 2007, at 9:45 AM, Xi Zhu wrote:

> Dear pwscf users;
>   I calculate one of metal-organic moleculer use  vasp and pwscf,
> with the same gaussianoccupancy, but the pwscf can't give the net
> magmom,while vasp can.
> It seems the PWSCF is weak to deal with the metal-organic system.does
> anyone agree? thanks
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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