Re: [Wien] Need help

Dear Lawal, You have to run in Terminal as a separate command. Yours, Rahnama   Dr. H.A.Rahnamaye Aliabad, Assistant Professor, Department of physics,Hakim Sabzevari University, Sabzevar,Iran Tel:+98-571-4003155 Fax:+98-571-4411161 Academic email:rahn...@hsu.ac.ir On Wednesday, January 8, 2014

[Wien] mbj scf error

Dear Hajar, Please try without parallelcalculations. Dr. H.A.Rahnamaye Aliabad, Assistant Professor, Department of physics,Hakim Sabzevari University, Sabzevar,Iran Tel:+98-571-4003155 Fax:+98-571-4411161 Academic email:rahnama at sttu.ac.ir From: Hajar Nejati

[Wien] band structure of Bi2Te3

Dear Wien2k users, Hi, I have calculated band structure of Bi2Te3, but obtained band structure is different with the others results in Gamma point. Obtained band structure is direct in Gamma point whereas calculated band structure by the others is indirect in other point. Please if it would be

[Wien] [SPAM?] Problem with 185 space group

Dear Wien2k users and Prof. Blaha I am doing some calculations with HoMnO3, (number of space group is 185). Unfortunately after 40 iterations stops and not converged (even with ?changing of RMT and mixing factor). Please if it would be possible for you let me know how to solve this problem?

[Wien] please help me

Dear Ms. Vahedi, Hello,?your?information is not enough and your question is not clear. please send other data. Best regards, Rahnama? ?Dr. H.A.Rahnamaye Aliabad Department of physics,Tarbiat Moallem university of Sabzevar, Sabzevar,Iran From: Hasti Vahedi

[Wien] calculation of optical properties

Dear, Dr Antonio V dos Santos Please find this paper from Internet Explorer: Linear optical properties of solids within the full-potential linearized augmented planewave method Claudia Ambrosch-Draxl and Jorge O. Sofo? ? ? Best wishes Rahnama ? Dr.H.A.Rahnamaye Aliabad Department of

[Wien] mixer error

Dear Wien2k users, Hi, According to user guide, for calculation of optical properties, I have changed TOT to FERMI in Case.in2. but ?I have faced with following error in scf calculations: ??? stop error ? mixer? 00403229? Unknown? ???Unknown? Unknown libc.so.6?

[Wien] mixer error

doing rm *bro* ; x mixer 2010/10/7 hossien rahnama h_rahnamay at yahoo.com: Dear Wien2k users, Hi, According to user guide, for calculation of optical properties, I have changed TOT to FERMI in Case.in2. but ?I have faced with following error in scf calculations: ??? stop error mixer

[Wien] Optical Properties

Dear Ms.Safdari, For calculation of static dielectric constant, you must be use from real curve of dielectric function in zero eV. Best wishes, Rahnama Dr. H.A.Rahnamaye Aliabad Department of physics,Tarbiat Moallem university of Sabzevar, Sabzevar,Iran --- On Tue, 5/4/10, Haleh Safdari

[Wien] Compiling error

Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;hossien

[Wien] Compiling error

Dear Wien2k users,Hi, When I want to compiling wien2k 9.2, I'm facing a strange problem I failed to solve so far.I would be very grateful for your help or some your suggestion. Best Regardes,RahnamaMy system is as follows: - Intel

[Wien] band-gap of In2O3

Dear Dr. Hi,We have calculated electrical and optical properties of In2O3 with Wien2k. Our results shows that?Band gap of In2O3 is located in top of fermi level. Best wishes, Rahnama? Hossein Asghar Rahnamaye Aliabad(PH.D Student) Electroceramic and Material Laboratory Department of