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• [Wien] Syntax error: Bad fd number Tomohiko Tasaka
  • Re: [Wien] Syntax error: Bad fd number Peter Blaha
  • Re: [Wien] Syntax error: Bad fd number Tomohiko Tasaka
• [Wien] SOC+sp problems Ruoshi Jiang
  • Re: [Wien] SOC+sp problems Peter Blaha
• Re: [Wien] Problems of the query and convergence test about MAE calculation Peter Blaha
• [Wien] Missing packages delamora
  • Re: [Wien] Missing packages Gavin Abo
  • Re: [Wien] Missing packages delamora
• [Wien] Problem with sbatch job Neeraj Kulhari
  • Re: [Wien] Problem with sbatch job Neeraj Kulhari
• [Wien] Energy comparison delamora
  • Re: [Wien] Energy comparison Peter Blaha
• [Wien] Confusion about monoclinic lattice shamik chakrabarti
  • Re: [Wien] Confusion about monoclinic lattice shamik chakrabarti
• [Wien] No inversion symmetry in magnetic case? Ruoshi Jiang
  • Re: [Wien] No inversion symmetry in magnetic case? Peter Blaha
• [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
  • Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Laurence Marks
  • Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
  • Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Peter Blaha
  • Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Laurence Marks
  • Re: [Wien] Energy difference comparison of Win2k with GPAW calculation Gargee Bhattacharyya
• [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Tenzin, K.
  • Re: [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Gavin Abo
  • Re: [Wien] WIEN2k Questions: Volume Optimization and Fermi Surfaces Peter Blaha
• [Wien] Bandstructure with SO delamora
  • Re: [Wien] Bandstructure with SO Gavin Abo
  • Re: [Wien] Bandstructure with SO delamora
• [Wien] NaNs in DOS from TETRA Falke, Johannes
• [Wien] Charged cell versus virtual atom? Laurence Marks
  • Re: [Wien] Charged cell versus virtual atom? Rubel, Oleg
  • Re: [Wien] Charged cell versus virtual atom? Fecher, Gerhard
  • Re: [Wien] Charged cell versus virtual atom? Laurence Marks
  • Re: [Wien] Charged cell versus virtual atom? Rubel, Oleg
  • Re: [Wien] Charged cell versus virtual atom? Peter Blaha
• [Wien] Related to HSE06 calculation for LiC6 shamik chakrabarti
• [Wien] LDA+U (on p orbital)? Ruoshi Jiang
  • Re: [Wien] LDA+U (on p orbital)? Peter Blaha
• [Wien] Extracting wave functions Amit Chauhan ph17d008
  • Re: [Wien] Extracting wave functions Peter Blaha
  • Re: [Wien] Extracting wave functions Amit Chauhan ph17d008
  • Re: [Wien] Extracting wave functions Peter Blaha
• [Wien] Umklapp with plasmons Laurence Marks
• [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
  • Re: [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
  • Re: [Wien] continuing: 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
• [Wien] 'LAPW2' - semicore band-ranges too large, ghostbands ? shamik chakrabarti
  • Re: [Wien] 'LAPW2' - semicore band-ranges too large, ghostbands ? pboulet
• [Wien] Potential bug in WIEN2k 21.1 - read_vorb_files Joseph Prentice
  • Re: [Wien] Potential bug in WIEN2k 21.1 - read_vorb_files Peter Blaha
• [Wien] MPI Error while running lapw0_mpi venky ch
  • Re: [Wien] MPI Error while running lapw0_mpi Laurence Marks
  • Re: [Wien] MPI Error while running lapw0_mpi venky ch
  • Re: [Wien] MPI Error while running lapw0_mpi Peter Blaha
  • Re: [Wien] MPI Error while running lapw0_mpi Laurence Marks
  • Re: [Wien] MPI Error while running lapw0_mpi Peter Blaha
• [Wien] Trigonal LAO StructGen problem Luigi Maduro - TNW
  • Re: [Wien] Trigonal LAO StructGen problem Peter Blaha
• [Wien] Fwd: Problems of GGA+U calculation Peter Blaha
• [Wien] FFTW3 Arthur H. Edwards
  • Re: [Wien] FFTW3 Peter Blaha
• [Wien] optimize_abc continuation run pboulet
  • Re: [Wien] optimize_abc continuation run Peter Blaha
  • Re: [Wien] optimize_abc continuation run pboulet
  • Re: [Wien] optimize_abc continuation run pboulet
  • Re: [Wien] optimize_abc continuation run Peter Blaha
• [Wien] orb -up / orb -dn status is not coming during SCF shamik chakrabarti
  • Re: [Wien] orb -up / orb -dn status is not coming during SCF Laurence Marks
  • Re: [Wien] orb -up / orb -dn status is not coming during SCF Gavin Abo
  • Re: [Wien] orb -up / orb -dn status is not coming during SCF shamik chakrabarti
• [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
  • Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
  • Re: [Wien] A basic question regarding using GGA+U approach Tran, Fabien
  • Re: [Wien] A basic question regarding using GGA+U approach Laurence Marks
  • Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
  • Re: [Wien] A basic question regarding using GGA+U approach Peter Blaha
  • Re: [Wien] A basic question regarding using GGA+U approach xavier rocquefelte
  • Re: [Wien] A basic question regarding using GGA+U approach Tran, Fabien
  • Re: [Wien] A basic question regarding using GGA+U approach shamik chakrabarti
• 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
• [Wien] Installing Wien2k_21 on Snellius, Dutch HPC Tenzin, K.
  • Re: [Wien] Installing Wien2k_21 on Snellius, Dutch HPC Gavin Abo
• [Wien] Oxidation state of an element in a compound shamik chakrabarti
• [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Peter Blaha
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Peter Blaha
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Gavin Abo
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Gavin Abo
  • Re: [Wien] FINDLOC issue with latest version of Wien2k with fortran v.15 Dr. K. C. Bhamu
• [Wien] Non-self consistent energy (not just W2k) Laurence Marks
  • Re: [Wien] Non-self consistent energy (not just W2k) Peter Blaha
  • Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
  • Re: [Wien] Non-self consistent energy (not just W2k) Laurence Marks
  • Re: [Wien] Non-self consistent energy (not just W2k) Tran, Fabien
  • Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
  • Re: [Wien] Non-self consistent energy (not just W2k) Dr. K. C. Bhamu
  • Re: [Wien] Non-self consistent energy (not just W2k) Fecher, Gerhard
  • Re: [Wien] Non-self consistent energy (not just W2k) Laurence Marks
• [Wien] Instalation error delamora
  • Re: [Wien] Instalation error Gavin Abo
  • Re: [Wien] Instalation error delamora
  • [Wien] w2web delamora
• [Wien] Query about getting converged solution using PRATT shamik chakrabarti
  • Re: [Wien] Query about getting converged solution using PRATT Laurence Marks
  • Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
  • Re: [Wien] Query about getting converged solution using PRATT Peter Blaha
  • Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
  • Re: [Wien] Query about getting converged solution using PRATT Peter Blaha
  • Re: [Wien] Query about getting converged solution using PRATT shamik chakrabarti
• [Wien] Continuing: Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Continuing: Converging full hybrid calculation Peter Blaha
  • Re: [Wien] Continuing: Converging full hybrid calculation shamik chakrabarti
• [Wien] Converged solution with PRATT shamik chakrabarti
  • Re: [Wien] Converged solution with PRATT Peter Blaha
  • Re: [Wien] Converged solution with PRATT shamik chakrabarti
• [Wien] amorphous binary rare-earth transition metal alloys sherif Yehia
  • Re: [Wien] amorphous binary rare-earth transition metal alloys Gavin Abo
  • Re: [Wien] amorphous binary rare-earth transition metal alloys Rubel, Oleg
  • [Wien] amorphous binary rare-earth transition metal alloys sherif Yehia
• [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation Tran, Fabien
  • Re: [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation Peter Blaha
  • Re: [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation Tran, Fabien
  • Re: [Wien] Converging full hybrid calculation shamik chakrabarti
  • Re: [Wien] Converging full hybrid calculation Tran, Fabien
• [Wien] compile error after applying patches_w2k_ver21.1 Ashwani Kumar
  • Re: [Wien] compile error after applying patches_w2k_ver21.1 Gavin Abo
  • Re: [Wien] compile error after applying patches_w2k_ver21.1 Ashwani Kumar
  • Re: [Wien] compile error after applying patches_w2k_ver21.1 Laurence Marks
  • Re: [Wien] compile error after applying patches_w2k_ver21.1 Gavin Abo
• [Wien] Is MBJ applicable for half metals? shamik chakrabarti
  • Re: [Wien] Is MBJ applicable for half metals? Tran, Fabien
  • Re: [Wien] Is MBJ applicable for half metals? shamik chakrabarti
• [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence Peter Blaha
  • Re: [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence Peter Blaha
  • Re: [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence Tran, Fabien
  • Re: [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence shamik chakrabarti
  • Re: [Wien] Oscillating convergence Tran, Fabien
• [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
  • Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
  • [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
  • Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
  • Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
  • Re: [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
  • Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
  • Re: [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
• [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
  • Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Rubel, Oleg
  • Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
  • Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Peter Blaha
  • Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
  • Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Rubel, Oleg
• [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Asif Ali
  • Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Peter Blaha
  • Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Asif Ali
• [Wien] qtl-cfp reyhaneh ebrahimi
  • Re: [Wien] qtl-cfp Fecher, Gerhard
  • Re: [Wien] qtl-cfp Tran, Fabien
• [Wien] Mixer probelem Igor I Mazin
  • Re: [Wien] Mixer probelem Laurence Marks
  • Re: [Wien] Mixer probelem Peter Blaha
  • Re: [Wien] Mixer probelem Gavin Abo
  • Re: [Wien] Mixer probelem Gavin Abo
  • [Wien] problems installing 21.1 Igor I Mazin
  • Re: [Wien] problems installing 21.1 Gavin Abo
  • [Wien] W2kinit_tmp_.F memory limit Igor I Mazin
  • Re: [Wien] W2kinit_tmp_.F memory limit Laurence Marks
  • Re: [Wien] W2kinit_tmp_.F memory limit Peter Blaha
• [Wien] error in parallel calculations SANDEEP ARORA
  • Re: [Wien] error in parallel calculations Gavin Abo
  • Re: [Wien] error in parallel calculations SANDEEP ARORA
  • Re: [Wien] error in parallel calculations Gavin Abo
  • Re: [Wien] error in parallel calculations SANDEEP ARORA
  • Re: [Wien] error in parallel calculations Gavin Abo
• [Wien] Could not find E-Bottom in LAPW1 shamik chakrabarti
• [Wien] QTL error TELNES Philippe JONNARD
  • Re: [Wien] QTL error TELNES Peter Blaha
  • Re: [Wien] QTL error TELNES David Holec
• [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
  • Re: [Wien] mstar: Error: dM is not finite Gavin Abo
  • Re: [Wien] mstar: Error: dM is not finite Laurence Marks
  • Re: [Wien] mstar: Error: dM is not finite Rubel, Oleg
  • Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
  • Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
  • Re: [Wien] mstar: Error: dM is not finite Rubel, Oleg

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