[Wien] a minor typos in defining nband
Saeid Jalali
s_jalali_a at yahoo.com
Sat Apr 25 21:52:36 CEST 2015
In page 119 of the usersguide version 14.2 for describing case.in1, nband is defined as nband=ne*2+5, which would be modified as nband=ne/2+5 in the next version.
For si111.struct in example_struct_files with S.E.=-6.0 Ry, ne will be 8 in si111.in2, and nband will be 10 in case.in1, and the last :BAN009 will be in si111.scf for Emax=1.5 Ry. :BAN009=9=8/2+5 but nband=10=8/2+5+1. :BAN009 varies with Emax, but nband in case.in1 is determined in lstart.
Sincerely yours,
S. Jalali
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Saeid Jalali Asadabadi,
Associate Professor of Physics,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys. :+98-0311-793 2435
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Homepage :http://sci.ui.ac.ir/~sjalali
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