[Wien] problem in execution

programme successfully and complete my work. With kind regards and thanks, Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA -- next part -- An HTML attachment was scrubbed... U

[Wien] Fw: Re: problem in execution

; # # added by WIEN2k: END Many thanks Sir for your kind attention and quick reply. I tried to recompile again but failed to remove the error. Kindly help me by guiding. Regards, Pooja Rana Research Scholar Condensed Matter Theory

[Wien] problem in intialisation

Respected Prof. Blaha,, ? Many thanks for successful compilation. ? But now,during the intialisation of programme I am unable to find the Case.inm_st file in which we?acn? set?the mixing factor. ? Kindly guide,? how to get it? ? With many thanks and kind regards, ? ? Pooja Rana

[Wien] error in dstart

thanks and kind regards, Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/w

[Wien] problem regarding supercell

of Na , K, Cl ? When I did so, I got error in dstart "unit 15 ( case.in2c) can not be opened". Regards and thanks, Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA -- next part --

[Wien] problem in lapw1

with kind regards, Pooja Rana Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110517/8

[Wien] problem with lapw1 during supercell calculations

oblem. Many thanks with kind regards, Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110521/241e3f0a/attachment.htm>

[Wien] supercell calculations

47 -1 0 0 0. 0 1 0 0. 0 0 1 0. 48 Please suggest me how to rectify the problem, with many thanks and kind regards, Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wi

[Wien] problem during visualisation supercell structure

compound. Please suggest how to resolve the problem and to get the dopent position. Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110613/cfe2fc21/attachment.htm>

[Wien] problem pending

thanks, Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110616/fbb4fa39/attachment.htm>

[Wien] elastic constants calculaions for hexagonal structure

no result found for elastic constants. Please suggest me how to rectify this problem. with regards, Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110719/12434864/attachment.htm>

[Wien] problem regarding PDOS

ch type of problem. I have tried with new directory and with new calculations in order to resolve the problem for several times but it doesn't works. Kindly give me some suggestions how to get rid of this problem. Many thanks in advance, with regards, Pooja Rana Research Scholar Schoo

[Wien] no effect in shifting of f bands on application of hubbard U

to get rid of this problem? Hope for the earliest reply, With kind regards and thanks, Pooja Rana Research Scholar School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA -- next part -- An HTML attachment was scrubbed... URL: <h

[Wien] Wien Digest, Vol 47, Issue 1

00 ?'FERMI' - SOS 0........0500.0001.081 ?'FERMI' - NOS ** please give me a suitable solution for this,that? what i have to do. Thank you so much. Pooja Ra

[Wien] QTL-B error

Respected sir, during working on HfN,VN, i have faced a problem LAPW2 QTL-B,ghost bands error, i tired?of ?solving this.I have also tried the solution given in FAQ of WIEN2K, but the problem remains as it is,plz give me solution. ? Thanks in advance. Pooja Rana Research Scholar Condensed

[Wien] (no subject)

ZnO. please help to run the calculations with spin Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA The INTERNET now has a personality. YOURS! See your Yahoo! Homepage. http://in.yahoo.com/

[Wien] problem in intialization

Respected sir, and dear wien2k users, I am trying to run SCF in NaCl phase. Following error in dstart is reported 'DSTART' - can't open unit: 15??? ?'DSTART' -??? filename: cdo.in2c? ?'DSTART' -? sta