[Wien] Mixing for dummies

2022-07-12 Thread Peter Blaha
Betreff: Mixing for Dummies (notes) Von: Laurence Marks Datum: 12.07.2022, 17:17 An: A Mailing list for WIEN2k users I have written chocolate notes to try and explain the mixer. These are at a gentler level than the papers, and much better than the (now) chaotic Readme documentation. The ai

Re: [Wien] Mixing

2021-08-18 Thread Hamza Bouafia
Dear Prof. Laurence Marks, a very interesting work, Thank you very much Le mar. 17 août 2021 à 22:59, Laurence Marks a écrit : > If any is interested, the current mixer (21.1) is described in > https://doi.org/10.1021/acs.jctc.1c00630 , which is also the appropriate > reference if needed. > > -

Re: [Wien] Mixing

2021-08-18 Thread Luis Ogando
Dear Prof. Marks, I got the reference for future publications! Thank you one more time! All the best, Luis Em ter., 17 de ago. de 2021 às 18:59, Laurence Marks < laurence.ma...@gmail.com> escreveu: > If any is interested, the current mixer (21.1) is described in > htt

[Wien] Mixing

2021-08-17 Thread Laurence Marks
If any is interested, the current mixer (21.1) is described in https://doi.org/10.1021/acs.jctc.1c00630 , which is also the appropriate reference if needed. -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu "Research is

Re: [Wien] mixing factor value and an error

2013-05-25 Thread Muhammad Sajjad
Dear Prof. Peter Blaha Thank you for guidance. True Regards M. Sajjad On Sun, May 26, 2013 at 1:24 AM, Peter Blaha wrote: > I want to know that what value we should usually select for mixing factor >> while making some change in case.inm file during mBJ calculations? the >> relative line is give

Re: [Wien] mixing factor value and an error

2013-05-25 Thread Peter Blaha
I want to know that what value we should usually select for mixing factor while making some change in case.inm file during mBJ calculations? the relative line is given below 0.20mixing FACTOR for BROYD/PRATT scheme and I used the command runsp_lapw -cc 0.1 -in1new 2 -i 100 but

[Wien] mixing factor value and an error

2013-05-24 Thread Muhammad Sajjad
Dear Wien2k users I want to know that what value we should usually select for mixing factor while making some change in case.inm file during mBJ calculations? the relative line is given below 0.20mixing FACTOR for BROYD/PRATT scheme and I used the command runsp_lapw -cc 0.1 -in1n