;
>>>>> Thanks and Regards
>>>>>
>>>>> --
>>>>> DeepikaResearch Scholar
>>>>> Department of Physics
>>>>> Indian Institute of Technology
>>>>> Ropar, 140001
>>>>> Punjab
>>>>>
>>>>>
>>>>> __**_
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>>>>>
>>>>>
>>>>>
>>>>>
>>>>> --
>>>>> DeepikaResearch Scholar
>>>>> Department of Physics
>>>>> Indian Institute of Technology
>>>>> Ropar, 140001
>>>>> Punjab
>>>>>
>>>>>
>>>> ___
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>>> Bramha Prasad Pandey
>>> Indian School of Mines(ISM)
>>> Dhanbad, INDIA.
>>>
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>>
>>
>>
>> --
>> Deepika
>> Research Scholar
>> Department of Physics
>> Indian Institute of Technology
>> Ropar, 140001
>> Punjab
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>
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> Thanks and Regards
> Bramha Prasad Pandey
> Indian School of Mines(ISM)
> Dhanbad, INDIA.
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Punjab
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Regards
>>>>
>>>> --
>>>> DeepikaResearch Scholar
>>>> Department of Physics
>>>> Indian Institute of Technology
>>>> Ropar, 140001
>>>> Punjab
>>>>
>>>>
>>>> __**_
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>>>>
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>>>>
>>>>
>>>> --
>>>> DeepikaResearch Scholar
>>>> Department of Physics
>>>> Indian Institute of Technology
>>>> Ropar, 140001
>>>> Punjab
>>>>
>>>>
>>> ___
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
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>>
>>
>>
>> --
>> Thanks and Regards
>> Bramha Prasad Pandey
>> Indian School of Mines(ISM)
>> Dhanbad, INDIA.
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Deepika
> Research Scholar
> Department of Physics
> Indian Institute of Technology
> Ropar, 140001
> Punjab
>
> ___
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Thanks and Regards
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Dhanbad, INDIA.
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gt;> Department of Physics
>>> Indian Institute of Technology
>>> Ropar, 140001
>>> Punjab
>>>
>>>
>>> __**_
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/**listinfo/pw_forum<http://pwscf.org/mailman/listinfo/pw_forum>
>>>
>>>
>>>
>>>
>>> --
>>> DeepikaResearch Scholar
>>> Department of Physics
>>> Indian Institute of Technology
>>> Ropar, 140001
>>> Punjab
>>>
>>>
>> ___
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>
>
>
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> Thanks and Regards
> Bramha Prasad Pandey
> Indian School of Mines(ISM)
> Dhanbad, INDIA.
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
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Indian Institute of Technology
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Punjab
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>> Indian Institute of Technology
>> Ropar, 140001
>> Punjab
>>
>>
>> __**_
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>> Pw_forum at pwscf.org
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>>
>>
>>
>>
>> --
>> DeepikaResearch Scholar
>> Department of Physics
>> Indian Institute of Technology
>> Ropar, 140001
>> Punjab
>>
>>
> ___
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Thanks and Regards
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Dhanbad, INDIA.
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___
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>
>
>
> --
> Deepika
> Research Scholar
> Department of Physics
> Indian Institute of Technology
> Ropar, 140001
> Punjab
>
> ___
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Thanks and Regards
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Dhanbad, INDIA.
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>
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Indian Institute of Technology
Ropar, 140001
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Thanks and Regards
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Dhanbad, INDIA.
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Thanks and Regards
--
Deepika
Research Scholar
Department of Physics
Indian Institute of Technology
Ropar, 140001
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(81):
> S matrix not positive definite
>
>
> %%
>
> stopping ...
>
>
> I have searched the forum but not found any solution to the problem. Does
> anyone know what is wrong in the input
> that gives me this error?
> Thanks
> Vijaya
>
> UNM
>
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Dear Branha Pandey,
Axel managed to write the same things that I was planning to state as
well - I know that one can download it without paying any money, but one
has to accept the license agreements, and most scientists do not fulfill
them. I'm also taking this as an academic
On Sun, Dec 30, 2012 at 7:09 PM, Bramha Pandey
wrote:
> Dear Ari,
> you can downloaded ifortron for non-commercial purposes without any
> restriction with license agreement.
this is wrong on two counts:
a) academic use is *not* non-commercial use. intel is *very* clear about it.
you just
Dear Deepika,
Newer versions of 'gfortran' should also work I believe. The license
agreements of the Intel compiler are quite restrictive - well I guess most
of the people either do not know or actively ignore them.
#> gfortran -v
shows you which version you have installed on your
Dear Deepika,
Like you see, the directory is already wrong at this stage:
# ? pseudo directory: ? ? ?/pseudo
It should be what you defined in the file 'environment_variables',
PSEUDO_DIR=/home/bramha/espresso/pseudo
Are you sure that you source (= the ". environment_variable" line in
Dear Deepika,
Clearly the variable 'pseudo_dir' in your input is errorneuous, probably
there is a problem with an environmental variable that you use but it is
not defined?
Otherwise it would be more useful to provide more information about what
you did, your script/input files; but
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Dear Yavar Taghipour Azar,
From what I know, only the energy eigenvalue HOMO should have a physical
meaning - the ionisation energy - but also it would naturally require the
usage of the exact exchange-correlation functional. All the rest relies on
the empirism, that they seem to
bert
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er
> email on this one)
>
> Cheers,
> Filippo
>
> --
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.me ~ skype: filippo.spiga
>
> ?Nobody will drive us out of Cantor's paradise.? ~ David Hilbert
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