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- From: Ms Gargi Dutta <gdutta@jncasr.ac.in>
- To: forum@abinit.org
- Cc: gonze@pcpm.ucl.ac.be
- Subject: Re: [abinit-forum] Error in Non-selfconsistent calculation
- Date: Mon, 9 Aug 2004 10:37:53 +0530 (IST)
- Importance: Normal
Dear Sir,
i am using
(1) Version 4.0.3 of ABINIT
(sequential version, prepared for a P6/Linux computer)
(2) LDA Pseudopotential :- fhi98PP : OPT-type
(3) Some info about the computer i am using :
vendor_id : GenuineIntel
cpu family : 15
model : 2
model name : Intel(R) Pentium(R) 4 CPU 2.20GHz
cpu MHz : 2192.928
cache size : 512 KB
(4) Platform : Linux
with regards,
Gargi
> Dear Ms Gargi Dutta,
>
> Could you give a bit more information : which version of
> ABINIT, which platform, and also which pseudopotentials ?
>
> Thanks,
> Xavier
>
> Ms Gargi Dutta wrote:
>> Hi,
>> i am having a problem while doing a surface calculation of CeO2.
>> The calculation consists of first self - consistent calculation
>> and then a non-selfconsistent calculation. The error is while
>> doing the non - selfconsistent calculation.
>>
>> I am attaching an input file 'ab.in'
>>
>> I will be highly benefitted if anybody can help me to figure
>> out the probelm.
>>
>>
>> The following is the error :
>>
>> Input/Output Error 161: Write operation failed
>>
>> In Procedure: rwwf
>> At Line: 429
>>
>> Statement: Unformatted WRITE
>> Unit: 11
>> Connected To: ab_WF1
>> Form: Unformatted
>> Access: Sequential
>> Records Read : 0
>> Records Written: 2363
>>
>> End of diagnostics
>>
>>
>>
- Re: [abinit-forum] Error in Non-selfconsistent calculation, Ms Gargi Dutta, 08/09/2004
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