You can read on the "WIEN2k-FAQ: QTL-B" page (link in the post at
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09989.html
) about what it means to have an "E-top -200.00000" (like in your error
message).
In order to diagnosis why it could not find E-TOP, you should look at
files like case.struct, case.in1, and case.scf1 as described in the
WIEN2k usersguide [
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11677.html
] and on the "WIEN2k-FAQ: The SCF cycle fails after a few iterations"
page [ http://www.wien2k.at/reg_user/faq/scf.html ].
On 7/10/2015 10:19 AM, sikander Azam wrote:
Dear All
please help me how to solve this problem
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Jul 10 18:16:53 CEST 2015
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.00000
Regards
Azam
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
