[Wien] problem with joint program

.html On 7/2/2012 11:52 AM, soumyajyoti haldar wrote: Dear wien2k Developers, users and Prof. Blaha, I have one following questions / problems I am trying to do a test calculation of magneto-optic kerr effect with Fe. I am using latest wien2k version compiled with intel composer-2011.3.174

[Wien] problem with joint program

Fe.symmat1up and rerun x joint for the time being. On 7/2/2012 12:31 PM, Gavin Abo wrote: Try applying the fixed opticpara_lapw file at: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-June/017036.html On 7/2/2012 11:52 AM, soumyajyoti haldar wrote: Dear wien2k Developers, users and Prof

[Wien] optics calculation with spin orbit coupling

Dear Prof. Blaha thank you for your reply. /Soumyajyoti -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120629/ff31cea9/attachment.htm

[Wien] MOKE Spectra in wien2k

? Any help will be greatly appreciated. Thanks and regards -- Soumyajyoti Haldar, PhD Student Department of Physics and Astronomy, Materials Theory ?ngstr?m Laboratory, Office ?13235 | Uppsala University Box 516, SE-75120, Uppsala, SWEDEN -- next part -- An HTML attachment

[Wien] optics calculation with spin orbit coupling

(up/dn) and form case.joint file. Then we proceed with x kram My confusion is do we need to do addjoint_lapw also for spin polarized spin-orbit coupling case since the spins are not independent any more. any clarification will be very helpful. Thanks and regards -- Soumyajyoti Haldar, PhD

[Wien] x optic error

the following command in the Linux terminal: dos2unix $WIENROOT/opticpara_lapw If you don't have dos2unix on your system, some other methods are described at: http://kb.iu.edu/data/acux.html -- Soumyajyoti Haldar, PhD Student Department of Physics and Astronomy, Materials Theory ?ngstr?m

[Wien] x optic error

05.06.2012 19:36, schrieb soumyajyoti haldar: Dear Prof. Blaha, How we can get the modified file? Will you update the file after modification in the download section of the site ? On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha pblaha at theochem.tuwien.ac.atmailto: pblaha at theochem.**tuwien.ac.at

[Wien] x optic error

* ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Soumyajyoti Haldar, PhD Student Department of Physics and Astronomy, Materials Theory ?ngstr?m Laboratory, Office ?13235 | Uppsala University Box

[Wien] x optic error

$case.mat_diag_$i$updn $case.mat_diag$updn tail -n +2 $case.mme_$i$updn $case.mme$updn endif rm $case.symmat_$i$updn rm $case.mommat_$i$updn rm $case.mat_diag_$i$updn rm $case.mme_$i$updn @ i ++ end On 6/5/2012 5:11 AM, soumyajyoti haldar wrote: Dear Prof. Blaha and Wien2k Users I am