error block 13 13

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
somourad
Posts: 13
Joined: Thu Feb 18, 2010 11:18 am

error block 13 13

Post by somourad » Sat Apr 24, 2010 8:56 am

Thank you for reply this sir,

I corrected likke that and got an error like "blok 1 3 1 3" missed. so i am waiting for the valuable suggestions forom all


with regards
S.Appalakondaiah

somourad
Posts: 13
Joined: Thu Feb 18, 2010 11:18 am

Re: error block 13 13

Post by somourad » Sat Apr 24, 2010 9:02 am

are you sure in dossier work, there is the two files trf2_1o_DS11_DDB and trf2_1o_DS12_DDB.
best regards

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: error block 13 13

Post by mverstra » Tue May 04, 2010 12:10 am

This post is incomprehensible. Please include the original message, and indicate if it should be merged with another thread.

Provide basic information: architecture, abinit version, input file and output snippets to explain what you are trying to do and what is actually going wrong.

The message you get is probably anaddb telling you that it does not have all the perturbations it needs to complete the dynamical matrix. Return to the abinit input, and make sure rfdir and rfatpol cover all the needed perturbations. Read the associated documentation on the web site and the Phonon response function tutorials.

Matthieu
Matthieu Verstraete
University of Liege, Belgium

Locked