The ABINIT Users Mailing List ( CLOSED )

["Aldo Humberto Romero" <aromero@qro.cinvestav.mx>]

Assume your calculation has successful finished up to DDB 29 and you
ndtset goes up to 51... then you just have to

jdtset 30 31 32 33 .....51
ndtset (51-30)

and that is... you do not need to comment anything... just check that
the necessary wavefunctions used for the response are in the directory
and accessible.

Regards

-aldo.



->         yes, you can !
->
->
->  Abedalhasan Breidi a écrit :    Deat abinit users and developers,
->
->  I had a phonon dispersion calculation jobs running on our cluster, but
-> due to certain reasons (technical related to the cluster) the jobs
-> eventually also stopped. The question is that :
->  Do I have to re-launch the calculation from the beginning (costly in
-> time).
->  Or
->  can I collect the already finished DDB files in a separate directory,
-> then edit the *.in file to comment the datasets referred to this already
-> finished ones?
->  and when using the MGRDDB and ANADDB utilities, is it enough to collect
-> only for these to operate properly only in the presense of the DDB files.
->
->
->  Regards
->   
--------------------------------------------------------------------------------------------------
->     Abedalhasan BREIDI
->     PhD student in Condensed Matter
->     Université de Metz - Institut de Physique
->     LABORATOIRE DE PHYSIQUE DES MILIEUX DENSES
->     Adresse:1 Boulevard Arago- BP 87811
->     57078 METZ CEDEX 3 - FRANCE
->     http://www.univ-metz.fr/recherche/labos/lpmd/
->     Abedalhasan.breidi@univ-metz.fr
->   
----------------------------------------------------------------------------------------------------
->
->
->
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->  --  Emmanuel ARRAS L_Sim (Laboratoire de Simulation Atomistique) SP2M /
-> INAC CEA Grenoble tel : 00 33 (0)4 387 86862


-- 

Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938

email: aromero@qro.cinvestav.mx
        aldorome@gmail.com
www: qro.cinvestav.mx/~aromero