[Wien] Different local magnetic moments in x- and y-directions

Dear Wien2k users, In an AFM configuration, can we introduce different local magnetic moments in x- and y-directions (z- being zero). As per, Phys. Rev. B 51, 2881-2890 (1995), the authors says, that the local magnetic moments for K2UX5 type of compounds are U 2.32 mu_B and 2.27 mu_B which are

[Wien] compilation error in libary

Dear wien user I am installing wien2k_12. For that I am installing mpich3.0.3. First I configuring this way in the terminal export FC=ifort ./configure --prefix= /opt/mpich-3.0.3/mpich-install21 | tee c.txt The path ifort in the bashrc file is source /opt/intel/Compiler/11.0/074/

Re: [Wien] (no subject)

Dear Dr. K. C. Bhamu Thank you for your kind response. I started it again, but according to my previous experience I have done this for long time. Let see. I will update the status after it. Regards M. Sajjad On Thu, Apr 18, 2013 at 10:03 PM, Dr. K. C. Bhamu kcbham...@gmail.comwrote: Dear

Re: [Wien] An error while performing SCF

Dear Sajjad, you still is next to no information - I doubt anybody can help you. One of the first things you should do is take a look into the dayfile (if you use w2web its in the utilities menu). Did you succeed with any calculations on your Lenovo laptop? --If no, try TiC, following the UG

Re: [Wien] Different local magnetic moments in x- and y-directions

Dear Suddhasattwa, sounds to me like a non-collinear magnetic structure - something which is not supported within standard Wien2k. As a registered user you might want to look on the Wien2k homepage into the non-collinear magnetism version Wienncm. That might be useful, I have no experience with

[Wien] XMCD and rare earth

Dear wien2k users I tried to calculate xmcd ZnO doped with rare earths and I followed the same procedure and it worked with the Nd while the other element (Gd, Sm) gives me empty files and I do not know of or error specialey .xmcd .brod1 .brod2 .row1 .row2. Could you help me Cordially --