[ADF列表]重启旋转轨道计算

Erik van Lenthe. vanlenthe在scm.com.
周三2015年1月7日09:13:38 CET

Dear Jonathan,

In case of spin-orbit coupling ADF can not read spinors from a restart file.

Best regards,
Erik
SCM

You wrote
> Dear ADF team,
>     Is it possible to read an MO guess for a spin-orbit, unrestricted 
> calculation from a spin-orbit, unrestricted restart file?
>
> Kind regards and wishing all a prosperous new year!
>
> Jonathan
>
> Version ADF 2014.02
>
>
> _______________________________________________
> ADFlist mailing list
> ADFlist at scm.com
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