[Wien] x kgen -hf <<

[Gavin Abo]

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 -hf
> mv $file.klist $file.klist_ibz
> mv $file.kgen $file.kgen_ibz
>
> x kgen -fbz
> mv $file.klist $file.klist_fbz
> mv $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.klist
> cp $file.kgen_ibz $file.kgen
> ---------------------end------------
>
> ---------------------simplified run_kgenhf_lapw--------------
> x kgen -fbz
> mv $file.klist $file.klist_fbz
> mv $file.kgen $file.kgen_fbz
>
> x kgen -hf
> cp $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_rfbz
> endif
> ---------------------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<http://mc/compose?to=sjalali@phys.ui.ac.ir>
>                           :sjalali at sci.ui.ac.ir<http://mc/compose?to=sjalali@sci.ui.ac.ir>
>                           :sjalali at mailaps.org<http://mc/compose?to=sjalali@mailaps.org>
>                           :saeid.jalali.asadabadi at gmail.com<http://mc/compose?to=saeid.jalali.asadabadi@gmail.com>
>                           :s_jalali_a at yahoo.com<http://mc/compose?to=s_jalali_a@yahoo.com>
> Homepage        :http://sci.ui.ac.ir/~sjalali
> www                  :http://www.ui.ac.ir
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> -----Inline Attachment Follows-----
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at<http://mc/compose?to=Wien@zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130316/62e9b217/attachment.htm>