Your struct file looks partly ok, but it still has "zero" symmetry
operations listed.
If this is the struct file whith which you run the scf cycle, it must fail.
Your initialization was not complete. Maybe you "forgot" to click on
some of the buttons during initialization (view tic.outputs ???)
Redo the initialization.
On 03/19/2015 06:50 AM, Khandmaa TS wrote:
Dear all.
I'm a new user of WIEN2k. I installed WIEN2k
13.1. in ubuntu 14.04.I tried to run the TiC example as per the Quick
Start instructions in the User's Guide. But it doesn't work. I tried
to run SCF cycle and I got the following this error:
hup: Command not found.
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW2: semicore band-ranges too large
(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
stop errorError in LAPW2
'LAPW2' - semicore band-ranges too large,
ghostbands ?
Please help me!
Regards,
Khandmaa Tsagaanaa
_______________________________________________
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
--
P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------
_______________________________________________
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
