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
Office :+98-0311-793 4776
Fax No. :+98-0311-793 2800
E-mail
:sjal...@sci.ui.ac.ir
:sjal...@phys.ui.ac.ir
:saeid.jalali.asadab...@gmail.com
:s_jalal...@yahoo.com
Homepage :http://sci.ui.ac.ir/~sjalali
www :http://www.ui.ac.ir
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