[Pw_forum] LSDA bands not implemented

Cyrille Barreteau cbarreteau at cea.fr
Wed Mar 30 11:04:02 CEST 2005


I have just installed the last version 2.1.2 and I get the same
error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from bands : error #        -2
     LSDA bands not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


this is definitely not implemented...

I will extract the bands by hand :-)

      cyrille

On Mer 30 mars 2005 12:50, Paolo Giannozzi a écrit :
> On Wednesday 30 March 2005 08:23, Axel Kohlmeyer wrote:
>
>> you may want to try a newer version. here is what
>> i found in the CVS changelog:
>>
>> 2005-01-05 18:42  dalcorso
>>
>>         * PP/: bands.f90, cgracsc.f90:
>>
>>         Bands.f90 generalized. Now it can deal with also with the LSDA,
>>         the noncolinear and the spin-orbit case.
>>
>> pwscf-2.1.2 was released on 2005-01-17 so it may include this.
>
> unfortunately it doesn't
>
> --
> Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
> Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513
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