<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="RIGHT: auto"><SPAN style="RIGHT: auto">Thanks Sir <FONT size=2 face=Arial>Blaha,</FONT></SPAN></div>
<div style="RIGHT: auto"><SPAN style="RIGHT: auto"><FONT size=2 face=Arial>i am very thankful to you.</FONT></SPAN></div>
<div style="RIGHT: auto"><SPAN style="RIGHT: auto"><FONT size=2 face=Arial>yes it works now after recompiling</FONT></SPAN></div>
<div style="RIGHT: auto"><SPAN style="RIGHT: auto"><FONT size=2 face=Arial></FONT></SPAN> </div>
<div style="RIGHT: auto"><SPAN style="RIGHT: auto"><FONT size=2 face=Arial>Sir i also asked one question </div>
<DIV>please tell me can i calculate supercell, thin film structures and magnetic anisotropy using w2web interface? and how i calculate it using GU interface.</DIV>
<DIV>because i canot find any options about these things on wien2k GU interface.<BR></DIV>
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<DIV>i will be very very thankful to you.</DIV>
<DIV>thanks and regards</DIV>
<DIV>arqum hashmi<BR></DIV></FONT></SPAN>
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<DIV style="BORDER-BOTTOM: #ccc 1px solid; BORDER-LEFT: #ccc 1px solid; PADDING-BOTTOM: 0px; LINE-HEIGHT: 0; MARGIN: 5px 0px; PADDING-LEFT: 0px; PADDING-RIGHT: 0px; HEIGHT: 0px; FONT-SIZE: 0px; BORDER-TOP: #ccc 1px solid; BORDER-RIGHT: #ccc 1px solid; PADDING-TOP: 0px" class=hr readonly="true" contenteditable="false"></DIV><B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Peter Blaha <pblaha@theochem.tuwien.ac.at><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Wednesday, January 18, 2012 6:00 AM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [Wien] required help in constructing supercell<BR></FONT></DIV><BR>cd $WIENROOT<BR>cd SRC_supercell<BR><BR>check the file compile.msg<BR><BR>eventually just recompile:<BR><BR>make<BR>cp supercell ..<BR><BR><BR>Am 18.01.2012 08:09, schrieb arqum
hashmi:<BR>> Thanks Sir Mohaddeseh,<BR>> i am very thankful to you for giving me suggestion.<BR>> but it is not working also with changing name from TiC.struct to super.struct. it also give the error this<BR>> Command not found.<BR>> 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<BR>> error: command /home/hashumi/WIEN2k/supercell supercell.def failed<BR>> please tell me why this problem occured and how i can solve it.<BR>> Thanks and regards<BR>> Arqum Hashmi<BR>><BR>><BR>> -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------<BR>> *From:* mohaddeseh abbasnejad <<A href="mailto:m.abbasnejad@gmail.com" ymailto="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</A>><BR>> *To:* A Mailing list for WIEN2k users <<A href="mailto:wien@zeus.theochem.tuwien.ac.at"
ymailto="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>><BR>> *Sent:* Tuesday, January 17, 2012 10:03 PM<BR>> *Subject:* Re: [Wien] required help in constructing supercell TiC.struct to super.struct<BR>><BR>> Dear Arqum hashmi,<BR>><BR>> This is not a serious problem.<BR>> You only need to change the name of "TiC" to the name of the directory you are working in.<BR>> In your case, it should be changed to super.struct (instead of TiC.struct).<BR>><BR>> Yours,<BR>> Mohaddeseh<BR>> --<BR>> ---------------------------------------------------------<BR>><BR>> Mohaddeseh Abbasnejad,<BR>> Room No. 323, Department of Physics,<BR>> University of Tehran, North Karegar Ave.,<BR>> Tehran, P.O. Box: 14395-547- IRAN<BR>> Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781<BR>> Cellphone: +98 917 731 7514<BR>> E-Mail: <A href="mailto:m.abbasnejad@gmail.com"
ymailto="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</A> <mailto:<A href="mailto:m.abbasnejad@gmail.com" ymailto="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</A>><BR>> Website: http://physics.ut.ac.ir<BR>><BR>> ---------------------------------------------------------<BR>><BR>><BR>> 2012/1/18 arqum hashmi <<A href="mailto:arqumhashmi@yahoo.com" ymailto="mailto:arqumhashmi@yahoo.com">arqumhashmi@yahoo.com</A> <mailto:<A href="mailto:arqumhashmi@yahoo.com" ymailto="mailto:arqumhashmi@yahoo.com">arqumhashmi@yahoo.com</A>>><BR>><BR>> Dear Users<BR>> i have problem in constructing supercell.<BR>> as given in userguide i Create a new directory, copy the original TiC.struct file into it and when i run supercell it gives this error.<BR>> hashumi@spin4:~/WIEN2k/TiC/super> x supercell<BR>> cut: super.struct: No such file or
directory<BR>> /home/hashumi/WIEN2k/supercell: Command not found.<BR>> 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<BR>> error: command /home/hashumi/WIEN2k/supercell supercell.def failed<BR>><BR>><BR>> Please can anyone tell me about his problem and how can i solve it. i will be very thankful to you.<BR>><BR>> Thanks and regards<BR>> Arqum hashmi<BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A> <mailto:<A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A>><BR>>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR>><BR>><BR>><BR>><BR>><BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A> <mailto:<A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A>><BR>> <A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR>><BR>><BR>><BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>> <A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR><BR>-- <BR><BR> P.Blaha<BR>--------------------------------------------------------------------------<BR>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<BR>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<BR>Email: <A href="mailto:blaha@theochem.tuwien.ac.at" ymailto="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</A> WWW: http://info.tuwien.ac.at/theochem/<BR>--------------------------------------------------------------------------<BR>_______________________________________________<BR>Wien mailing list<BR><A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR><A
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