[Wien] Fermi + Syntax error

[Muhammad Sajjad]

Dear Sir Gavin Abo
Thank you for you kind response. I have checked these links. What I
understood is to increase Emax value. Any other option please? The error
file (uplapw2.error) has following message
Error in LAPW2
 'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :   0.94772

 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :  68.88544

 'FERMI' - ENERGY OF UPPER BOUND                 :   0.94772

 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :  68.87432

 'FERMI' - ADD   68.20313

 'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0000.0000.000

 'FERMI' - NOS **************************************************

Kind Regards


On Wed, Apr 16, 2014 at 1:21 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> There is usually a more detailed message for 'FERMI - Error' in one of the
> *lapw2.error files:
>
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.
> ac.at/msg02361.html
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.
> ac.at/msg08805.html
>
> You checked all error files in the case directory (cat *.error), and they
> were empty?
>
>
> On 4/15/2014 9:38 AM, Muhammad Sajjad wrote:
>
>> Dear Wien2k Users
>>
>> Can you please pull me out of this error? Many times it is appearing
>> while performing Optimization calculations. The wien2k version is 12 and
>> installed on fedora 17 64 bit. Lattice constant I used is 4.397 and it is
>> ternary alloy with 25 % doping of a TM. The error message is
>>
>> ERROR status in optrnew438_vol_-25.0
>> >   stop error
>>
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> (standard_in) 1: syntax error
>> FERMI - Error
>>  LAPW1 END
>>  LAPW1 END
>>  LAPW0 END
>> in cycle 8    ETEST: .1255452000000000   CTEST: .0760248
>>  MIXER END
>>  CORE  END
>> True Regards
>> M. Sajjad
>>
>
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