tutorial 1

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

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sana
Posts: 17
Joined: Sun May 23, 2010 8:28 pm

tutorial 1

Post by sana » Sun Sep 26, 2010 9:00 pm

dear,
i have tried to run the first tutorial but i dint get the output
mansoorhasan@mansoor:~/Desktop/abinit/abinit-6.2.2/tests/tutorial/Input/work> abinit<t1x.files>&log
mansoorhasan@mansoor:~/Desktop/abinit/abinit-6.2.2/tests/tutorial/Input/work> ls
log t11.in t1x.files t1x.files~ t2x.files~
could u plz tel me what wrong with this?
with regards,
sana

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Alain_Jacques
Posts: 279
Joined: Sat Aug 15, 2009 9:34 pm
Location: Université catholique de Louvain - Belgium

Re: tutorial 1

Post by Alain_Jacques » Mon Sep 27, 2010 3:10 pm

Sana,

Read the "log" file ... it should give you a clue. The most plausible explanations are either your abinit binary crashed or the hydrogen pseudo file is missing.

Alain

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