ABINIT Discussion Forums

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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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

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!