[Wien] need your help

[Gavin Abo]

Wrong input [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11451.html 
] can include a bad struct file.

On 10/26/2015 2:14 AM, sikander Azam wrote:
> Dear
> Yesterday the problem with the run -in1new 1 has been solved but now I 
> am facing this problem,
>
> Error in LAPW2 'FERMI' - EFERMI OUT OF ENERGY RANGE 'FERMI' - STOP IN 
> EFI 'FERMI' - ENERGY OF LOWER BOUND : -1.27904 'FERMI' - NUMBER OF 
> STATES AT THE LOWER BOUND : 0.00000 'FERMI' - ENERGY OF UPPER BOUND : 
> 1.87113 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND : 18.00000 
> 'FERMI' - ADD 18.00000 'FERMI' - SOS 
> 0.0000.0000.0000.0000.0001.0000.0000.0000.0000.750 'FERMI' - NOS 
> **************************************************
> please help me in this regard.
> Regards
> SIkander
>
> On Sun, Oct 25, 2015 at 10:58 AM, sikander Azam 
> <sikander.physicst at gmail.com <mailto:sikander.physicst at gmail.com>> wrote:
>
>     Dear Sir Gavin Abo
>     Thanks sir for your help.
>     Regards
>     Sikander
>
>     On Sun, Oct 25, 2015 at 6:55 PM, Gavin Abo <gsabo at crimson.ua.edu
>     <mailto:gsabo at crimson.ua.edu>> wrote:
>
>         Search the mailing list archive [
>         http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/ ].
>
>         When E-bottom and E-top are both -200, that typically
>         indicates that something is likely wrong with the struct file
>         [
>         http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html
>         ].
>
>
>         On 10/25/2015 11:34 AM, sikander Azam wrote:
>>         Dear All
>>         Please help me in fixing the following error
>>         ** Error in Parallel LAPW1 ** LAPW1 STOPPED at Sun Oct 25
>>         18:30:40 CET 2015 ** check ERROR FILES! Error in LAPW1
>>         'SELECT' - no energy limits found for atom 1 L= 0 'SELECT' -
>>         E-bottom -200.00000 E-top -200.00000 Error in LAPW1 'SELECT'
>>         - no energy limits found for atom 1 L= 0 'SELECT' - E-bottom
>>         -200.00000 E-top -200.00000 Error in LAPW1 'SELECT' - no
>>         energy limits found for atom 1 L= 0 'SELECT' - E-bottom
>>         -200.00000 E-top -200.00000 Error in LAPW1 'SELECT' - no
>>         energy limits found for atom 1 L= 0 'SELECT' - E-bottom
>>         -200.00000 E-top -200.00000
>>         Regards
>>         SIkander
>
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