wien

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2022/06/15 Re: [Wien] Query regarding clean_lapw fabien . tran
2022/06/15 Re: [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/15 Re: [Wien] Query regarding clean_lapw fabien . tran
2022/06/15 Re: [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/13 Re: [Wien] Query regarding clean_lapw Peter Blaha
2022/06/13 Re: [Wien] Query regarding clean_lapw fabien . tran
2022/06/12 Re: [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/12 Re: [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/11 Re: [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/10 Re: [Wien] Query regarding clean_lapw fabien . tran
2022/06/10 [Wien] test Peter Blaha
2022/06/09 [Wien] Query regarding clean_lapw shamik chakrabarti
2022/06/08 Re: [Wien] oneAPI minimal software requirements delamora
2022/06/08 Re: [Wien] oneAPI minimal software requirements Laurence Marks
2022/06/08 [Wien] oneAPI minimal software requirements delamora
2022/06/08 Re: [Wien] problems with parallel version of run_bandplothf_lapw Lyudmila Dobysheva via Wien
2022/06/08 Re: [Wien] problems with parallel version of run_bandplothf_lapw Mikhail Nestoklon via Wien
2022/06/08 Re: [Wien] problems with parallel version of run_bandplothf_lapw Lyudmila Dobysheva via Wien
2022/06/07 Re: [Wien] problems with parallel version of run_bandplothf_lapw Peter Blaha
2022/06/07 Re: [Wien] Non-collinear magnetic moments from LAPWDM in (collinear) Wien2k Peter Blaha
2022/06/07 [Wien] problems with parallel version of run_bandplothf_lapw Mikhail Nestoklon via Wien
2022/06/07 [Wien] Non-collinear magnetic moments from LAPWDM in (collinear) Wien2k Jindrich Kolorenc
2022/06/04 Re: [Wien] Error while calculating elastic constant using IRelast Hamza Bouafia
2022/06/04 Re: [Wien] Error while calculating elastic constant using IRelast Lyudmila Dobysheva via Wien
2022/06/03 Re: [Wien] Error in mixer Laurence Marks
2022/06/03 Re: [Wien] Error in mixer Peter Blaha
2022/06/03 Re: [Wien] Error in mixer kousuke_kyo_u
2022/06/02 Re: [Wien] Error in mixer Peter Blaha
2022/06/02 [Wien] Error while calculating elastic constant using IRelast 413119008
2022/06/02 [Wien] Error in mixer kousuke_kyo_u
2022/06/01 Re: [Wien] Wavefunctions and System Hamiltonian Peter Blaha
2022/06/01 [Wien] Wavefunctions and System Hamiltonian Polatkan, Sascha
2022/05/31 [Wien] Fwd: Ph.D. and postdoc position correlated electron theory Peter Blaha
2022/05/28 [Wien] No feasible step small enough shamik chakrabarti
2022/05/27 Re: [Wien] Spin Susceptibility (Manual Version 21.1) Peter Blaha
2022/05/25 Re: [Wien] Questions about SOC Peter Blaha
2022/05/25 [Wien] Questions about SOC Ruoshi Jiang
2022/05/24 Re: [Wien] The crystal structure of nanoparticle structure Algerian Researcher
2022/05/24 [Wien] Spin Susceptibility (Manual Version 21.1) Fecher, Gerhard
2022/05/24 Re: [Wien] The crystal structure of nanoparticle structure Peter Blaha
2022/05/24 [Wien] The crystal structure of nanoparticle structure Algerian Researcher
2022/05/23 Re: [Wien] Exchange of Beta to Gamma for monoclinic lattice shamik chakrabarti
2022/05/23 [Wien] Exchange of Beta to Gamma for monoclinic lattice shamik chakrabarti
2022/05/22 Re: [Wien] Band structure for DFT+U+SO Issues Peter Blaha
2022/05/22 [Wien] Questions about spin-orbit coupling Ruoshi Jiang
2022/05/22 [Wien] Band structure for DFT+U+SO Issues Tenzin, K.
2022/05/22 Re: [Wien] local coordinate of Spin Ruoshi Jiang
2022/05/22 Re: [Wien] local coordinate of Spin Peter Blaha via Wien
2022/05/22 Re: [Wien] local coordinate of Spin Ruoshi Jiang
2022/05/22 Re: [Wien] Ghost Band error shamik chakrabarti
2022/05/22 Re: [Wien] local coordinate of Spin Ruoshi Jiang
2022/05/22 Re: [Wien] A basic question regarding Rmt of the same element at different compounds shamik chakrabarti
2022/05/22 Re: [Wien] local coordinate of Spin Peter Blaha
2022/05/22 Re: [Wien] local coordinate of Spin Lyudmila Dobysheva via Wien
2022/05/22 [Wien] local coordinate of Spin Ruoshi Jiang
2022/05/22 Re: [Wien] Planar average potential Peter Blaha
2022/05/22 Re: [Wien] A basic question regarding Rmt of the same element at different compounds Peter Blaha
2022/05/22 Re: [Wien] Ghost Band error Lyudmila Dobysheva via Wien
2022/05/22 [Wien] A basic question regarding Rmt of the same element at different compounds shamik chakrabarti
2022/05/21 [Wien] Planar average potential Amit Chauhan ph17d008
2022/05/20 Re: [Wien] Ghost Band error shamik chakrabarti
2022/05/19 Re: [Wien] Ghost Band error shamik chakrabarti
2022/05/19 Re: [Wien] Question about WIEN2k and paramagnetic system xavier rocquefelte
2022/05/19 Re: [Wien] Question about WIEN2k and paramagnetic system Peter Blaha
2022/05/19 Re: [Wien] Ghost Band error Peter Blaha
2022/05/19 [Wien] Question about WIEN2k and paramagnetic system Tenzin, K.
2022/05/19 [Wien] Ghost Band error shamik chakrabarti
2022/05/18 Re: [Wien] Syntax error: Bad fd number Tomohiko Tasaka
2022/05/18 Re: [Wien] SOC+sp problems Peter Blaha
2022/05/17 Re: [Wien] Syntax error: Bad fd number Peter Blaha
2022/05/17 [Wien] Syntax error: Bad fd number Tomohiko Tasaka
2022/05/17 Re: [Wien] Missing packages delamora
2022/05/17 [Wien] SOC+sp problems Ruoshi Jiang
2022/05/17 Re: [Wien] Missing packages Gavin Abo
2022/05/16 Re: [Wien] Problems of the query and convergence test about MAE calculation Peter Blaha
2022/05/16 [Wien] Missing packages delamora
2022/05/16 Re: [Wien] Problem with sbatch job Neeraj Kulhari
2022/05/15 [Wien] Problem with sbatch job Neeraj Kulhari
2022/05/15 Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
2022/05/15 Re: [Wien] Energy comparison Peter Blaha
2022/05/15 [Wien] Energy comparison delamora
2022/05/14 Re: [Wien] Bandstructure with SO delamora
2022/05/14 Re: [Wien] Confusion about monoclinic lattice shamik chakrabarti
2022/05/13 Re: [Wien] No inversion symmetry in magnetic case? Peter Blaha
2022/05/13 [Wien] Confusion about monoclinic lattice shamik chakrabarti
2022/05/12 [Wien] No inversion symmetry in magnetic case? Ruoshi Jiang
2022/05/11 Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Laurence Marks
2022/05/11 Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Peter Blaha
2022/05/11 Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
2022/05/11 Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Laurence Marks
2022/05/10 [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
2022/05/10 Re: [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Peter Blaha
2022/05/10 Re: [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Gavin Abo
2022/05/10 [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Tenzin, K.
2022/05/09 Re: [Wien] Bandstructure with SO Gavin Abo
2022/05/09 [Wien] Bandstructure with SO delamora
2022/05/02 Re: [Wien] Charged cell versus virtual atom? Rubel, Oleg
2022/05/02 [Wien] NaNs in DOS from TETRA Falke, Johannes
2022/05/02 Re: [Wien] Charged cell versus virtual atom? Laurence Marks
2022/05/02 Re: [Wien] Charged cell versus virtual atom? Fecher, Gerhard
2022/05/01 Re: [Wien] Charged cell versus virtual atom? Peter Blaha
2022/05/01 Re: [Wien] Charged cell versus virtual atom? Rubel, Oleg
2022/05/01 [Wien] Charged cell versus virtual atom? Laurence Marks
2022/04/22 [Wien] Fwd: Ghost band error shamik chakrabarti
2022/04/22 [Wien] Ghost band error shamik chakrabarti
2022/04/21 Re: [Wien] Extracting wave functions Peter Blaha
2022/04/20 Re: [Wien] Extracting wave functions Amit Chauhan ph17d008
2022/04/19 [Wien] Related to HSE06 calculation for LiC6 shamik chakrabarti
2022/04/18 Re: [Wien] LDA+U (on p orbital)? Peter Blaha
2022/04/18 [Wien] LDA+U (on p orbital)? Ruoshi Jiang
2022/04/09 Re: [Wien] Extracting wave functions Peter Blaha
2022/04/08 [Wien] Extracting wave functions Amit Chauhan ph17d008
2022/04/07 [Wien] Umklapp with plasmons Laurence Marks
2022/04/05 Re: [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
2022/04/05 Re: [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
2022/04/04 [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
2022/04/04 Re: [Wien] 'LAPW2' - semicore band-ranges too large, ghostbands ? pboulet
2022/04/03 [Wien] 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
2022/03/31 Re: [Wien] Potential bug in WIEN2k 21.1 - read_vorb_files Peter Blaha
2022/03/31 [Wien] Potential bug in WIEN2k 21.1 - read_vorb_files Joseph Prentice
2022/03/23 Re: [Wien] MPI Error while running lapw0_mpi Laurence Marks
2022/03/23 Re: [Wien] MPI Error while running lapw0_mpi Peter Blaha
2022/03/23 Re: [Wien] MPI Error while running lapw0_mpi venky ch
2022/03/23 Re: [Wien] MPI Error while running lapw0_mpi Peter Blaha
2022/03/23 Re: [Wien] MPI Error while running lapw0_mpi Laurence Marks
2022/03/23 [Wien] MPI Error while running lapw0_mpi venky ch
2022/03/10 Re: [Wien] Install Wien2k using oneAPI Dr . KISHOR KUMAR डॉ . किशोर कुमार
2022/03/10 Re: [Wien] Install Wien2k using oneAPI Dr . KISHOR KUMAR डॉ . किशोर कुमार
2022/03/08 Re: [Wien] Install Wien2k using oneAPI Gavin Abo
2022/03/08 [Wien] Install Wien2k using oneAPI delamora
2022/03/01 Re: [Wien] Trigonal LAO StructGen problem Peter Blaha
2022/03/01 [Wien] Trigonal LAO StructGen problem Luigi Maduro - TNW
2022/02/26 [Wien] Fwd: Problems of GGA+U calculation Peter Blaha
2022/02/25 Re: [Wien] optimize_abc continuation run Peter Blaha
2022/02/25 Re: [Wien] optimize_abc continuation run pboulet
2022/02/24 Re: [Wien] FFTW3 Peter Blaha
2022/02/24 [Wien] FFTW3 Arthur H. Edwards
2022/02/24 Re: [Wien] optimize_abc continuation run pboulet
2022/02/24 Re: [Wien] optimize_abc continuation run Peter Blaha
2022/02/24 [Wien] optimize_abc continuation run pboulet
2022/02/23 Re: [Wien] W2kinit_tmp_.F memory limit Peter Blaha
2022/02/23 Re: [Wien] W2kinit_tmp_.F memory limit Laurence Marks
2022/02/23 [Wien] W2kinit_tmp_.F memory limit Igor I Mazin
2022/02/22 Re: [Wien] Install Wien2k using oneAPI Gavin Abo
2022/02/16 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/16 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Gavin Abo
2022/02/16 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/16 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Gavin Abo
2022/02/15 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/12 Re: [Wien] orb -up / orb -dn status is not coming during SCF shamik chakrabarti
2022/02/12 Re: [Wien] orb -up / orb -dn status is not coming during SCF Gavin Abo
2022/02/12 Re: [Wien] orb -up / orb -dn status is not coming during SCF Laurence Marks
2022/02/12 [Wien] orb -up / orb -dn status is not coming during SCF shamik chakrabarti
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach Tran, Fabien
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach Laurence Marks
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach Tran, Fabien
2022/02/11 Re: [Wien] A basic question regarding using GGA+U approach xavier rocquefelte
2022/02/10 Re: [Wien] A basic question regarding using GGA+U approach Peter Blaha
2022/02/10 Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
2022/02/10 [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
2022/02/10 Re: [Wien] How much computer CPU usage will be required for say a 60 atom model to run. So we want CPU requirements versus the number of atoms for Wein2k Peter Blaha
2022/02/07 Re: [Wien] problems installing 21.1 Gavin Abo
2022/02/07 Re: [Wien] Non-self consistent energy (not just W2k) Laurence Marks
2022/02/07 [Wien] problems installing 21.1 Igor I Mazin
2022/02/07 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/07 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Peter Blaha
2022/02/07 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/07 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Peter Blaha
2022/02/07 Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/05 Re: [Wien] Installing Wien2k_21 on Snellius, Dutch HPC Gavin Abo
2022/02/05 [Wien] Installing Wien2k_21 on Snellius, Dutch HPC Tenzin, K.
2022/02/04 [Wien] Oxidation state of an element in a compound shamik chakrabarti
2022/02/03 [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
2022/02/02 Re: [Wien] Installing WIEN2k, w2web not running Gavin Abo
2022/02/02 [Wien] w2web delamora
2022/02/02 Re: [Wien] Instalation error delamora
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Fecher, Gerhard
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Tran, Fabien
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Laurence Marks
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
2022/01/31 Re: [Wien] Non-self consistent energy (not just W2k) Peter Blaha
2022/01/31 [Wien] Non-self consistent energy (not just W2k) Laurence Marks
2022/01/26 Re: [Wien] Instalation error Gavin Abo
2022/01/26 [Wien] Instalation error delamora
2022/01/25 Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
2022/01/25 Re: [Wien] Query about getting converged solution using PRATT Peter Blaha
2022/01/25 Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
2022/01/25 Re: [Wien] Query about getting converged solution using PRATT Peter Blaha
2022/01/25 Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
2022/01/24 Re: [Wien] Query about getting converged solution using PRATT Laurence Marks
2022/01/24 [Wien] Query about getting converged solution using PRATT shamik chakrabarti
2022/01/21 [Wien] amorphous binary rare-earth transition metal alloys sherif Yehia
2022/01/20 Re: [Wien] Continuing: Converging full hybrid calculation shamik chakrabarti
2022/01/20 Re: [Wien] Converging full hybrid calculation Tran, Fabien
2022/01/20 Re: [Wien] Continuing: Converging full hybrid calculation Peter Blaha
2022/01/20 [Wien] Continuing: Converging full hybrid calculation shamik chakrabarti