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.physi...@gmail.com <mailto:sikander.physi...@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 <gs...@crimson.ua.edu
<mailto:gs...@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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