[Wien] LAPW1 error in WIEN2k
Hamid Abbaszadeh Peivasti
abbaszadeh.h at gmail.com
Mon Feb 9 10:14:12 CET 2009
Dear WIEN2k users;
I used WIEN2k_8.3 for my case and all things was good.Also, there was
no error in the new WIEN2k_9 compile, But when I repeat my case with
this one, scf stopped in 7th cycle because of error in lapw1.
upLapw1.error
'SELECT' - no energy limits found for L= 0
'SELECT' - E-bottom 1.31200 E-top -200.00000
I use LSDA + hybrid function., What's the problem?
--
MSc. H. Abbaszadeh
Magnet Research Laboratory (MRL)
Sharif University of Technology (SUT)
Tehran, IRAN
Mobile: +98(914)4132419
e-mail: abbaszadeh at physics.sharif.edu
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