[Wien] Installation of WIEN2K

2008-05-14 Thread shameem banu
Dear Dr.Peter Blaha, I would like to work WIEK2K in Federo Core 8 . What are the suitable intel compiler and MKL versions? Thank you for sparing your precious time. With regards DR.SHAMEEM BANU - Explore your hobbies and interests.

[Wien] electron density plot

2011-05-27 Thread shameem banu
Dear Prof. Blaha, I request you to kindly provide me the input for the electron density plot for the cubic structure along 100, 110 and 111 directions.Also?explain how to arrive at the?x-end and y-end details with respect to the origin. I shall be grateful to you if you answer me as soon as

[Wien] optical properties

2011-06-21 Thread SHAMEEM BANU
Dear WIEN2k users,I am using WIEN2k version 8. I am going to update to version 11.1.Usingnbsp; version 8, I have come across several research publications. So I tried to calculate the optical propertiesof GaAs for which I used the structure file given by this version. After fixing RMT,

[Wien] optical properties

2011-06-23 Thread shameem banu
perfectly ok and if in these steps no error occurred, it should be ok. Check the details of the error in lapw2, maybe this helps further. Am 21.06.2011 13:52, schrieb SHAMEEM BANU: Dear WIEN2k users, I am using WIEN2k version 8. I am going to update to version 11.1. Using version 8, I have

[Wien] Curie temperature

2012-01-25 Thread shameem banu
Dear Wien2k users, Can we calculate the Curie temperature using Wien2k? If so how? Please this may be explained. For Cr, I can not find case.inst in the wien2k manual and I request that this may be sent so that I can compare with the one I got.Few more examples may also kindly be sent. Thank