error using ABINIT in interface with CASINO

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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mohaddeseh
Posts: 1
Joined: Wed Apr 07, 2010 2:06 pm

error using ABINIT in interface with CASINO

Post by mohaddeseh » Sun Jun 27, 2010 12:47 pm

Dear users,

I have tried a few times to run CASINO code (related to Quantum Monte Carlo) using the generated wave function with ABINIT code.
However I receive an error and the program stops. The problem is related to the converted pseudopotential from ABINIT to CASINO format.
Actually the CASINO program stops when trying to read information related to pseuodopotentials.
Has anybody used ABINIT in interface with the CASINO in order to help me?

Thanks in advance.

Yours,
Mohaddeseh


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Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781
Cellphone: +989177317514
E-Mail: m.abbasnejad@gmail.com
Website: http://physics.ut.ac.ir

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

Re: error using ABINIT in interface with CASINO

Post by mverstra » Sat Sep 04, 2010 9:21 am

Hello,


This was put into abinit a long time ago - I don't know if there is anyone in the abinit group per se who uses it. We would need a lot more information on the CASINO crash/complaint, and in particular please check thoroughly that they have not changed their format or code - the bug is equally likely to be on either side, but as we have not changed the casino-output code in a long time... Can you try with older versions of casino or abinit to see?

There is a test for the abinit run to produce CASINO files for diamond, although the CASINO file itself is not checked. Could you try with that output as well? It is produced by tests/v4/Input/t90.in

Ciao

Matthieu
Matthieu Verstraete
University of Liege, Belgium

jamesh
Posts: 1
Joined: Fri Oct 05, 2012 10:59 am

Re: error using ABINIT in interface with CASINO

Post by jamesh » Fri Oct 05, 2012 11:02 am

mohaddeseh wrote:Dear users,

I have tried a few times to run CASINO code (related to Quantum Monte Carlo) using the generated wave function with ABINIT code.
However I receive an error and the program stops. The problem is related to the converted pseudopotential from ABINIT to CASINO format.
Actually the CASINO program stops when trying to read information related to pseuodopotentials.
Has anybody used ABINIT in interface with the CASINO in order to help me?

Thanks in advance.

Yours,
Mohaddeseh


--
---------------------------------------------------------

Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781
Cellphone: +989177317514
E-Mail: m.abbasnejad@gmail.com
Website: http://physics.ut.ac.ir

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It looks like I am running into the same issue when converting from ABINIT to CASINO code. I would really appreciate it if you could offer any advice on this issue. Were you able to figure it out? Any info would be greatly appreciated. Thanks!
James - My favorite place to play poker is the MGM Grand Las Vegas.

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