Re: [Wien] write_win error

Dear Gavin Abo; It works thank you 2017-11-25 2:07 GMT+01:00 Gavin Abo : > Maybe try changing hr_plot to write_hr in $WIENROOT/SRC_templates/case.win > of WIEN2k 17.1 [1,2]. > > [1] https://translate.google.com/translate?js=n=auto= >

Re: [Wien] write_win error

Maybe try changing hr_plot to write_hr in $WIENROOT/SRC_templates/case.win of WIEN2k 17.1 [1,2]. [1] https://translate.google.com/translate?js=n=auto=destination_language=http://www.slab.phys.nagoya-u.ac.jp/ai/pukiwiki/index.php?wien2wannier [2]

[Wien] write_win error

Dear Prof. P. Blaha and Wien2k users; how to fix this error with write_win command Input parameter hr_plot is no longer used. Please use write_hr instead. Error: examine the output/error file for details 0.012u 0.007s 0:00.02 50.0% 0+0k 0+8io 0pf+0w

Re: [Wien] Energies of a 4f

Thanks again 2017-11-24 16:59 GMT+01:00 Laurence Marks : > DOS > > _ > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu > > On Nov 24, 2017

Re: [Wien] Energies of a 4f

DOS _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Nov 24, 2017 8:28 AM, "karima Physique" wrote: > Dear wien2k users: > > how can i

[Wien] Energies of a 4f

Dear wien2k users: how can i determine the energy range (minimum and maximum) of 4f orbital (bands) after a SCF calculation. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

Re: [Wien] 4f Hubbard term

Dear Prof. Laurence Marks Thank you very much 2017-11-24 14:44 GMT+01:00 Laurence Marks : > I think this is right, but I have not checked the notes on the web site. > > Note: be careful about spin. > > On Fri, Nov 24, 2017 at 7:24 AM, karima Physique < >

Re: [Wien] 4f Hubbard term

I think this is right, but I have not checked the notes on the web site. Note: be careful about spin. On Fri, Nov 24, 2017 at 7:24 AM, karima Physique wrote: > Dear Prof. Laurence Marks; Thank you for your reply and i have a last > question : > > can I write the

Re: [Wien] 4f Hubbard term

Dear Prof. Laurence Marks; Thank you for your reply and i have a last question : can I write the estimation equation in this form: Ueff=[ E4f(up) * (+ 1/2 e)] - [ E4f(up) * (- 1/2 e)] - [ EF * (+ 1/2 e)] + [ EF * (- 1/2 e)] Is this correct .?: 2017-11-24 2:50 GMT+01:00 Laurence Marks