[Wien] x kgen -hf <<
Saeid Jalali
s_jalali_a at yahoo.com
Sat Mar 16 15:17:11 CET 2013
So in this case, can the run_kgenhf_lapw script a little bit simplifies as follows?
---------original run_kgenhf_lapw-----------...x kgen -hfmv $file.klist $file.klist_ibzmv $file.kgen $file.kgen_ibz
x kgen -fbzmv $file.klist $file.klist_fbzmv $file.kgen $file.kgen_fbz
if ( $redklist == 'redklist' ) then echo " Choose a reduced k-mesh which is a subset of the original one." sleep 1 x kgen -fbz mv $file.klist $file.klist_rfbzendif
cp $file.klist_ibz $file.klistcp $file.kgen_ibz $file.kgen---------------------end------------
---------------------simplified run_kgenhf_lapw-------------- x kgen -fbzmv $file.klist $file.klist_fbzmv $file.kgen $file.kgen_fbz
x kgen -hfcp $file.klist $file.klist_ibzcp $file.kgen $file.kgen_ibz
if ( $redklist == 'redklist' ) then echo " Choose a reduced k-mesh which is a subset of the original one." sleep 1 x kgen -fbz mv $file.klist $file.klist_rfbzendif---------------------end-----------------------
Two last lines of the script can be removed if we exchange the locations of the x kgen -hf and x kgen -fbz and their associated mv commands. Right?
Sincerely yours,
S. Jalali
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Saeid Jalali Asadabadi,
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 4800
E-mail :sjalali at phys.ui.ac.ir
:sjalali at sci.ui.ac.ir
:sjalali at mailaps.org
:saeid.jalali.asadabadi at gmail.com
:s_jalali_a at yahoo.com
Homepage :http://sci.ui.ac.ir/~sjalali
www :http://www.ui.ac.ir
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--- On Sat, 3/16/13, f.tran at pci.uzh.ch <f.tran at pci.uzh.ch> wrote:
From: f.tran at pci.uzh.ch <f.tran at pci.uzh.ch>
Subject: [Wien] x kgen -hf <<
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Saturday, March 16, 2013, 7:02 AM
-hf only means that in addition case.outputkgenhf is generated. The other files are not changed.
F. Tran
-----wien-bounces at zeus.theochem.tuwien.ac.at wrote: -----To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
From: Saeid Jalali
Sent by: wien-bounces at zeus.theochem.tuwien.ac.at
Date: 03/16/2013 02:13PM
Subject: [Wien] x kgen -hf <<=?=>> x kgen
Hi,Are there any differences between x kgen -hf and x kgen? For a (one atomic) fcc case, the generated case.klist, case.kgen, and case.outputkgen files by x kgen are found to be the same as those generated by x kgen -hf. When do the differences appeared?
Sincerely yours,
S. Jalali
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
Saeid Jalali Asadabadi,
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 4800
E-mail :sjalali at phys.ui.ac.ir
:sjalali at sci.ui.ac.ir
:sjalali at mailaps.org
:saeid.jalali.asadabadi at gmail.com
:s_jalali_a at yahoo.com
Homepage :http://sci.ui.ac.ir/~sjalali
www
:http://www.ui.ac.ir
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
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