[Wien] x kgen -hf <<

[Saeid Jalali]

Fabien, and Gavin, I agree with your point concerning the redklist. But, we can shift the x kgen -hf and its corresponded "cp" lines to the end of the file as follows, cannot we?   
---------------------simplified run_kgenhf_lapw-------------- ...x kgen -fezmv $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
x kgen -hfcp $file.klist $file.klist_ibzcp $file.kgen $file.kgen_ibz---------------------end-----------------------

--- 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: Re: [Wien] x kgen -hf <<
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Saturday, March 16, 2013, 9:51 AM

Yes, the two cp are needed if redklist part is executed.

-----wien-bounces at zeus.theochem.tuwien.ac.at wrote: -----To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
From: Gavin Abo 
Sent by: wien-bounces at zeus.theochem.tuwien.ac.at
Date: 03/16/2013 04:22PM
Subject: Re: [Wien] x kgen -hf <<

I think you shouldn't change it. It looks like the redklist (if statement) needs the two cp lines such that it cannot be simplified.
On Mar 16, 2013 8:17 AM, "Saeid Jalali" <s_jalali_a at yahoo.com> wrote:


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_rfbz

endif
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_ibz

cp $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
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
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


/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/


--- 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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