From arvindajoy at gmail.com  Mon Jun  8 07:15:22 2009
From: arvindajoy at gmail.com (Arvind Ajoy)
Date: Mon, 8 Jun 2009 10:45:22 +0530
Subject: [xcrysden] Help regarding cutting planes and crystals
Message-ID: <d81ed7de0906072215y3e4572ecmced645b2d54808e5@mail.gmail.com>

Dear Users

I wish to look at surfaces generated by cutting a Silicon crystal with
various planes.
For example, I would like to create images like the one listed at
http://www.xcrysden.org/Pictures.html,
specifically http://www.xcrysden.org/img/rh_fcc_111plane-200.png
and http://www.xcrysden.org/img/Rh111_top-200.png.

I have gone through the documentation and the mailing list archives, but
could
not figure out a possible means to do what I intend.

Look forward to a solution.

Regards

Arvind
=================================================
Dept of Electrical Engineering
Indian Institute of Technology Madras
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From tone.kokalj at ijs.si  Mon Jun  8 11:12:11 2009
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 08 Jun 2009 11:12:11 +0200
Subject: [xcrysden] Help regarding cutting planes and crystals
In-Reply-To: <d81ed7de0906072215y3e4572ecmced645b2d54808e5@mail.gmail.com>
References: <d81ed7de0906072215y3e4572ecmced645b2d54808e5@mail.gmail.com>
Message-ID: <1244452331.27865.5.camel@walk.ijs.si>

On Mon, 2009-06-08 at 10:45 +0530, Arvind Ajoy wrote:
> Dear Users
> 
> I wish to look at surfaces generated by cutting a Silicon crystal with
> various planes.
> For example, I would like to create images like the one listed at 
> http://www.xcrysden.org/Pictures.html, 
> specifically http://www.xcrysden.org/img/rh_fcc_111plane-200.png
> and http://www.xcrysden.org/img/Rh111_top-200.png.
> 
> I have gone through the documentation and the mailing list archives,
> but could
> not figure out a possible means to do what I intend.

You will have to provide the corresponding surface (i.e. slab)
structure, and then xcrysden will display it, unless you have 
a crystal program (http://www.crystal.unito.it/). In the latter case,
you may start with the Si bulk structure and use the xcrysden's AdvGeom
menu, where you can specify the Miller indices, and then the  surface
structure will be generated.

Regards, Tone
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html


From jibiaoli at gmail.com  Fri Jun 12 14:03:18 2009
From: jibiaoli at gmail.com (Clark Lee)
Date: Fri, 12 Jun 2009 20:03:18 +0800
Subject: [xcrysden] XCrySDen Digest, Vol 18, Issue 1
In-Reply-To: <mailman.3.1244443458.15047.xcrysden@democritos.it>
References: <mailman.3.1244443458.15047.xcrysden@democritos.it>
Message-ID: <b8b82da20906120503ib154055ic659551306428508@mail.gmail.com>

Dear Arvind,
The xcrysden software itself can not creat the surface plane, it displays
specified surface modeled and calculated in codes such as pwscf, crystal
etc.

On 6/8/09, xcrysden-request at democritos.it <xcrysden-request at democritos.it>
wrote:
>
> Send XCrySDen mailing list submissions to
>         xcrysden at democritos.it
>
> To subscribe or unsubscribe via the World Wide Web, visit
>         http://www.democritos.it/mailman/listinfo/xcrysden
> or, via email, send a message with subject or body 'help' to
>         xcrysden-request at democritos.it
>
> You can reach the person managing the list at
>         xcrysden-owner at democritos.it
>
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of XCrySDen digest..."
>
>
> Today's Topics:
>
>    1. Help regarding cutting planes and crystals (Arvind Ajoy)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 8 Jun 2009 10:45:22 +0530
> From: Arvind Ajoy <arvindajoy at gmail.com>
> Subject: [xcrysden] Help regarding cutting planes and crystals
> To: xcrysden at democritos.it
> Message-ID:
>         <d81ed7de0906072215y3e4572ecmced645b2d54808e5 at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear Users
>
> I wish to look at surfaces generated by cutting a Silicon crystal with
> various planes.
> For example, I would like to create images like the one listed at
> http://www.xcrysden.org/Pictures.html,
> specifically http://www.xcrysden.org/img/rh_fcc_111plane-200.png
> and http://www.xcrysden.org/img/Rh111_top-200.png.
>
> I have gone through the documentation and the mailing list archives, but
> could
> not figure out a possible means to do what I intend.
>
> Look forward to a solution.
>
> Regards
>
> Arvind
> =================================================
> Dept of Electrical Engineering
> Indian Institute of Technology Madras
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>
> ------------------------------
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
> End of XCrySDen Digest, Vol 18, Issue 1
> ***************************************
>



-- 
Yours sincerely,

Jibiao Li

State Key Lab of Corrosion and Protection (SKLCP)
Institute of Metal Research (IMR)
Chinese Academy of Sciences (CAS), China
Phone: 024-23971339
Email: jibiaoli at gmail.com
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From hana.milani at yahoo.com  Thu Jun 18 16:31:39 2009
From: hana.milani at yahoo.com (Hana Milani)
Date: Thu, 18 Jun 2009 07:31:39 -0700 (PDT)
Subject: [xcrysden] XCrySDen Digest, Vol 18, Issue 2
In-Reply-To: <mailman.11.1244532247.20607.xcrysden@democritos.it>
References: <mailman.11.1244532247.20607.xcrysden@democritos.it>
Message-ID: <385879.92534.qm@web110809.mail.gq1.yahoo.com>

Hi,

I read the section about k path selection and the file extenstions that are recognized by it. But, please let me know how I can generate *.kpf or *.d3, while I work in Siesta, Abinit and Crystal?

Regards,
Hana



      
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From tone.kokalj at ijs.si  Thu Jun 18 18:03:28 2009
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Thu, 18 Jun 2009 18:03:28 +0200
Subject: [xcrysden] XCrySDen Digest, Vol 18, Issue 2
In-Reply-To: <385879.92534.qm@web110809.mail.gq1.yahoo.com>
References: <mailman.11.1244532247.20607.xcrysden@democritos.it>
	<385879.92534.qm@web110809.mail.gq1.yahoo.com>
Message-ID: <1245341008.17430.38.camel@walk.ijs.si>

On Thu, 2009-06-18 at 07:31 -0700, Hana Milani wrote:
> Hi,
> 
> I read the section about k path selection and the file extenstions
> that are recognized by it. But, please let me know how I can generate
> *.kpf or *.d3, while I work in Siesta, Abinit and Crystal?

Very easy, tough the way it works is very implicit. It is determined by
the file extension, that has to be explicitly entered in the filename,
in particular:

kpath.kpf -- its a general type of file where selected kpoints are
printed in crystal coordinates (reciprocal basis) + explanation

kpatk.d3 -- file suited for CRYSTAL program

kpath.pwscf --file formatted for PWscf

If you would like it for Abinit or Sieste, see each of the three files
and select the one that suit you most. Then write a simple
converter that will convert to proper format.

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html


From colonel.sreekar at gmail.com  Sun Jun 21 23:07:18 2009
From: colonel.sreekar at gmail.com (sreekar guddeti)
Date: Mon, 22 Jun 2009 02:37:18 +0530
Subject: [xcrysden] installation help
Message-ID: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>

hello,
i downloaded the xcrysden source package with external libraries (TCL +TK +
Mesa) included and for installation i created a make.sys file as
instructed(but i m not sure if i did this the right way) and then for


make install

the configuration utility  pops in console
finally after sourcing the profile
i type xcrysden in console i get

/home/fubar/Desktop/programming/XCrySDen-1.4.1s/xcrysden: 200:
/home/fubar/Desktop/programming/XCrySDen-1.4.1s/bin/xcrys: not found

i looked up the bin directory and nothing was there in it... could anyone
help out plz.
thanks in advance


-- 
Sreekar Guddeti
IIT Bombay
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From sebastijan.peljhan at ijs.si  Mon Jun 22 09:16:07 2009
From: sebastijan.peljhan at ijs.si (Sebastijan Peljhan)
Date: Mon, 22 Jun 2009 09:16:07 +0200
Subject: [xcrysden] installation help
In-Reply-To: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
References: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
Message-ID: <1245654967.5006.3.camel@yunnan.ijs.si>

On Mon, 2009-06-22 at 02:37 +0530, sreekar guddeti wrote:
> hello,
> i downloaded the xcrysden source package with external libraries (TCL
> +TK + Mesa) included and for installation i created a make.sys file as
> instructed(but i m not sure if i did this the right way) and then for 
> 
> 
> make install 

You should try "make all" instead.

Sebastijan
> the configuration utility  pops in console
> finally after sourcing the profile 
> i type xcrysden in console i get
> 
> /home/fubar/Desktop/programming/XCrySDen-1.4.1s/xcrysden:
> 200: /home/fubar/Desktop/programming/XCrySDen-1.4.1s/bin/xcrys: not
> found
> 
> i looked up the bin directory and nothing was there in it... could
> anyone help out plz.
> thanks in advance
> 
> 
> -- 
> Sreekar Guddeti
> IIT Bombay
> 
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
-- 
Sebastijan Peljhan, J. Stefan Institute,
Jamova 39, 1000 Ljubljana, Slovenia

email: sebastijan.peljhan at ijs.si
phone: +386-1-477-3523
fax:  +386-1-477-3822


From paulatto at sissa.it  Mon Jun 22 09:40:30 2009
From: paulatto at sissa.it (Lorenzo Paulatto)
Date: Mon, 22 Jun 2009 09:40:30 +0200 (CEST)
Subject: [xcrysden] installation help
In-Reply-To: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
References: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
Message-ID: <46166.78.12.163.46.1245656430.squirrel@webmail.sissa.it>


On Sun, June 21, 2009 23:07, sreekar guddeti wrote:
>  xcrysden source package with external libraries (TCL +TK + Mesa)

Dear Sreekar,
I would strongly advise against compiling XCD yourself; I consider mtself
to be an experienced developer, still it took me one full day to compiler
XCD correctly the first time, due to the number of complex libraries it
uses.

Nevertheless, if you really want to compile it make sure you have
downloaded the 1.6 pre-release version (which is remarkably stable) and
send us a copy of the make.sys file, so we can check it for errors.

Finally, please note that installing the 1.6 binary shared-libraries
version is extremely simple, has no significant drawback compared to
compiling the source yourself and may actually use your video card's 3D
acceleration more effectively that compiling with internal libraries.

best regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



----------------------------------------------------------------
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From sebastijan.peljhan at ijs.si  Mon Jun 22 09:16:07 2009
From: sebastijan.peljhan at ijs.si (Sebastijan Peljhan)
Date: Mon, 22 Jun 2009 09:16:07 +0200
Subject: [xcrysden] installation help
In-Reply-To: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
References: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
Message-ID: <1245654967.5006.3.camel@yunnan.ijs.si>

On Mon, 2009-06-22 at 02:37 +0530, sreekar guddeti wrote:
> hello,
> i downloaded the xcrysden source package with external libraries (TCL
> +TK + Mesa) included and for installation i created a make.sys file as
> instructed(but i m not sure if i did this the right way) and then for 
> 
> 
> make install 

You should try "make all" instead.

Sebastijan
> the configuration utility  pops in console
> finally after sourcing the profile 
> i type xcrysden in console i get
> 
> /home/fubar/Desktop/programming/XCrySDen-1.4.1s/xcrysden:
> 200: /home/fubar/Desktop/programming/XCrySDen-1.4.1s/bin/xcrys: not
> found
> 
> i looked up the bin directory and nothing was there in it... could
> anyone help out plz.
> thanks in advance
> 
> 
> -- 
> Sreekar Guddeti
> IIT Bombay
> 
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
-- 
Sebastijan Peljhan, J. Stefan Institute,
Jamova 39, 1000 Ljubljana, Slovenia

email: sebastijan.peljhan at ijs.si
phone: +386-1-477-3523
fax:  +386-1-477-3822


From sebastijan.peljhan at ijs.si  Mon Jun 22 09:16:07 2009
From: sebastijan.peljhan at ijs.si (Sebastijan Peljhan)
Date: Mon, 22 Jun 2009 09:16:07 +0200
Subject: [xcrysden] installation help
In-Reply-To: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
References: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
Message-ID: <1245654967.5006.3.camel@yunnan.ijs.si>

On Mon, 2009-06-22 at 02:37 +0530, sreekar guddeti wrote:
> hello,
> i downloaded the xcrysden source package with external libraries (TCL
> +TK + Mesa) included and for installation i created a make.sys file as
> instructed(but i m not sure if i did this the right way) and then for 
> 
> 
> make install 

You should try "make all" instead.

Sebastijan
> the configuration utility  pops in console
> finally after sourcing the profile 
> i type xcrysden in console i get
> 
> /home/fubar/Desktop/programming/XCrySDen-1.4.1s/xcrysden:
> 200: /home/fubar/Desktop/programming/XCrySDen-1.4.1s/bin/xcrys: not
> found
> 
> i looked up the bin directory and nothing was there in it... could
> anyone help out plz.
> thanks in advance
> 
> 
> -- 
> Sreekar Guddeti
> IIT Bombay
> 
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
-- 
Sebastijan Peljhan, J. Stefan Institute,
Jamova 39, 1000 Ljubljana, Slovenia

email: sebastijan.peljhan at ijs.si
phone: +386-1-477-3523
fax:  +386-1-477-3822


From sebastijan.peljhan at ijs.si  Mon Jun 22 09:16:07 2009
From: sebastijan.peljhan at ijs.si (Sebastijan Peljhan)
Date: Mon, 22 Jun 2009 09:16:07 +0200
Subject: [xcrysden] installation help
In-Reply-To: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
References: <c864e4460906211407y2b22bbfaq3a0015e4ad1ce2bf@mail.gmail.com>
Message-ID: <1245654967.5006.3.camel@yunnan.ijs.si>

On Mon, 2009-06-22 at 02:37 +0530, sreekar guddeti wrote:
> hello,
> i downloaded the xcrysden source package with external libraries (TCL
> +TK + Mesa) included and for installation i created a make.sys file as
> instructed(but i m not sure if i did this the right way) and then for 
> 
> 
> make install 

You should try "make all" instead.

Sebastijan
> the configuration utility  pops in console
> finally after sourcing the profile 
> i type xcrysden in console i get
> 
> /home/fubar/Desktop/programming/XCrySDen-1.4.1s/xcrysden:
> 200: /home/fubar/Desktop/programming/XCrySDen-1.4.1s/bin/xcrys: not
> found
> 
> i looked up the bin directory and nothing was there in it... could
> anyone help out plz.
> thanks in advance
> 
> 
> -- 
> Sreekar Guddeti
> IIT Bombay
> 
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
-- 
Sebastijan Peljhan, J. Stefan Institute,
Jamova 39, 1000 Ljubljana, Slovenia

email: sebastijan.peljhan at ijs.si
phone: +386-1-477-3523
fax:  +386-1-477-3822


From zbayyari at rocketmail.com  Wed Jun 24 13:28:35 2009
From: zbayyari at rocketmail.com (Zuheir Elbayyari)
Date: Wed, 24 Jun 2009 04:28:35 -0700 (PDT)
Subject: [xcrysden] XCrySDen-1.4.1bin-shared/scripts/xcLib.sh line 14, 15,
	and ...
Message-ID: <951267.3220.qm@web54506.mail.re2.yahoo.com>

Hi all,
?I am trying to install XCrySDen-1.4.1bin-shared on my notebook Dell Latitude D500 with cygwin env. when I run?xcrysden at the prompt Owner at newton~$ i get the following errors attached in the log file generated with the command $ .xcrysden -T >& log
any solution please will be appreciated.
Kind regards.
?







?
Zuheir El-bayyari (Ph.D)

?


      
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From a.nourmohammadi at yahoo.com  Sun Jun 28 09:38:20 2009
From: a.nourmohammadi at yahoo.com (Amene Nouri)
Date: Sun, 28 Jun 2009 00:38:20 -0700 (PDT)
Subject: [xcrysden] point gruop
Message-ID: <757829.83535.qm@web59406.mail.ac4.yahoo.com>

hello
I have a wien2k struct file how can I find it's point group and space group?
thanks




      
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