[Pw_forum] 回复： Re: [Pw_forum] Spin-orbital effects and relativistic US-PPs

[Paolo Giannozzi]

On Thursday 05 January 2006 03:08, li yan wrote:

>      I also want to do some calculations including spin-orbital effects.
>      I used the fully relativistic PPs which are generated by program
>      LD1. But there are something wrong with it.
>      [...]
>      tstress=.t.,
>      [...]
>       from stress : info #        -1
>       non-colinear case not implemented

can't you read ??? the stress calculation is not implemented in this case. 

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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