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• [Wien] Fwd: Fw: Accommodation in Trieste, Italy - April 8 - 19, 2024 - ICTP, Kastler Lecture Hall Peter Blaha
  • Re: [Wien] Fwd: Fw: Accommodation in Trieste, Italy - April 8 - 19, 2024 - ICTP, Kastler Lecture Hall Pranjal Nandi
• [Wien] Columns in Help files Guoping Zhang
  • Re: [Wien] Columns in Help files Peter Blaha
• [Wien] NEC01 charge leakage too large + adding info Changhoon Lee via Wien
  • Re: [Wien] NEC01 charge leakage too large + adding info Peter Blaha
• [Wien] [ERROR: NEC01 charge leakage too large] Changhoon Lee via Wien
  • Re: [Wien] [ERROR: NEC01 charge leakage too large] Laurence Marks
• [Wien] more than 999 inequivalent atoms in case.struct Tomas Kana
  • Re: [Wien] more than 999 inequivalent atoms in case.struct Peter Blaha
  • Re: [Wien] more than 999 inequivalent atoms in case.struct Tomas Kana
• [Wien] Confusion regarding k points in GGA & subsequent HSE06 calculation shamik chakrabarti
  • Re: [Wien] Confusion regarding k points in GGA & subsequent HSE06 calculation shamik chakrabarti
• [Wien] band gap for structure with a defect Natalia Andreeva
  • Re: [Wien] band gap for structure with a defect Igor I Mazin
  • Re: [Wien] band gap for structure with a defect Natalia Andreeva
  • Re: [Wien] band gap for structure with a defect Peter Blaha
  • Re: [Wien] band gap for structure with a defect Natalia Andreeva
• [Wien] Terminal closes automatically and the job terminates. Pranjal Nandi
  • Re: [Wien] Terminal closes automatically and the job terminates. Hamza Bouafia
  • Re: [Wien] Terminal closes automatically and the job terminates. Peter Blaha
  • Re: [Wien] Terminal closes automatically and the job terminates. fabien . tran
• [Wien] x nn (init_lapw) Wien2k User
  • Re: [Wien] x nn (init_lapw) Peter Blaha
• [Wien] cif2struct Burhan Ahmed
  • Re: [Wien] cif2struct Laurence Marks
  • Re: [Wien] cif2struct Burhan Ahmed
  • Re: [Wien] cif2struct Laurence Marks
  • Re: [Wien] cif2struct Peter Blaha
  • Re: [Wien] cif2struct Igor I Mazin
  • Re: [Wien] cif2struct Burhan Ahmed
• [Wien] 27th WIEN2k workshop (first announcement) Peter Blaha
• [Wien] issues with FSM for noncentrosymmetric materials. Igor I Mazin
  • Re: [Wien] issues with FSM for noncentrosymmetric materials. Peter Blaha
  • Re: [Wien] issues with FSM for noncentrosymmetric materials. Igor I Mazin
• [Wien] Problem with libiomp5.so and error messages that disappear and do not stop the calculation Marco Polo Jimenez
  • Re: [Wien] Problem with libiomp5.so and error messages that disappear and do not stop the calculation Jan Doumont
  • Re: [Wien] Problem with libiomp5.so and error messages that disappear and do not stop the calculation Peter Blaha
  • Re: [Wien] Problem with libiomp5.so and error messages that disappear and do not stop the calculation Marco Polo Jimenez
• Re: [Wien] [WIEN2k BUG] lapw2_mpi crash with mbj, meta-GGAs (fix from mail-list hangs calculations) Peter Blaha
• [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? shamik chakrabarti
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? Laurence Marks
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? Peter Blaha
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? shamik chakrabarti
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? shamik chakrabarti
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? shamik chakrabarti
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? Peter Blaha
  • Re: [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2? shamik chakrabarti
• [Wien] Error while running SCF Abhishek Bhattacharjee
  • Re: [Wien] Error while running SCF Peter Blaha
• [Wien] Optimized lattice constants using pbe+U Park, Ken
  • Re: [Wien] Optimized lattice constants using pbe+U Peter Blaha
  • Re: [Wien] Optimized lattice constants using pbe+U Park, Ken
  • Re: [Wien] Optimized lattice constants using pbe+U fabien . tran
  • Re: [Wien] Optimized lattice constants using pbe+U Park, Ken
• Re: [Wien] calLa_Pre WIEN2k morteza jamal via Wien
• [Wien] How to get "klist file" for orthorhombic P structure Chang, Hong Young
  • Re: [Wien] How to get "klist file" for orthorhombic P structure Gavin Abo
• [Wien] slab calculation with lmbj potential Burhan Ahmed
• [Wien] Speeding up calculations in parallel mose Victor Zenou
  • Re: [Wien] Speeding up calculations in parallel mose Pavel Ondračka
  • Re: [Wien] Speeding up calculations in parallel mose Laurence Marks
  • Re: [Wien] Speeding up calculations in parallel mose Victor Zenou
  • Re: [Wien] Speeding up calculations in parallel mose Gavin Abo
  • Re: [Wien] Speeding up calculations in parallel mose Peter Blaha
  • Re: [Wien] Speeding up calculations in parallel mose Victor Zenou
  • Re: [Wien] Speeding up calculations in parallel mose Victor Zenou
• [Wien] Volume optimization and Eloss function. Pranjal Nandi
  • Re: [Wien] Volume optimization and Eloss function. Gavin Abo
  • Re: [Wien] Volume optimization and Eloss function. Pranjal Nandi
  • Re: [Wien] Volume optimization and Eloss function. Gavin Abo
• [Wien] SOC value \zeta Samolyuk, German D. via Wien
  • Re: [Wien] SOC value \zeta Gavin Abo
  • Re: [Wien] SOC value \zeta Peter Blaha
  • Re: [Wien] SOC value \zeta Fecher, Gerhard
  • Re: [Wien] SOC value \zeta Samolyuk, German D. via Wien
  • Re: [Wien] SOC value \zeta Fecher, Gerhard
  • Re: [Wien] SOC value \zeta Samolyuk, German D. via Wien
  • Re: [Wien] SOC value \zeta Peter Blaha
• [Wien] Plotting the radial part of wave function reyhaneh ebrahimi
  • Re: [Wien] Plotting the radial part of wave function Peter Blaha
  • Re: [Wien] Plotting the radial part of wave function reyhaneh ebrahimi
  • Re: [Wien] Plotting the radial part of wave function Peter Blaha
  • Re: [Wien] Plotting the radial part of wave function reyhaneh ebrahimi
• [Wien] error in doing bandstructure cal Neetu Malik
  • Re: [Wien] error in doing bandstructure cal Peter Blaha
  • Re: [Wien] error in doing bandstructure cal Neetu Malik
• [Wien] Clean_lapw before increasing number of k points in HSE06 calculation shamik chakrabarti
  • Re: [Wien] Clean_lapw before increasing number of k points in HSE06 calculation fabien . tran
  • Re: [Wien] Clean_lapw before increasing number of k points in HSE06 calculation shamik chakrabarti
• [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2 shamik chakrabarti
  • Re: [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2 fabien . tran
  • Re: [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2 shamik chakrabarti
• [Wien] new tool for Transport with WIEN2k: LinReTraCe Peter Blaha
  • [Wien] Question about units of density in density plots Fecher, Gerhard
  • Re: [Wien] Question about units of density in density plots Peter Blaha
  • Re: [Wien] Question about units of density in density plots Fecher, Gerhard
  • [Wien] save_lapw problem with W2WEB Fecher, Gerhard
  • Re: [Wien] save_lapw problem with W2WEB Peter Blaha
  • Re: [Wien] save_lapw problem with W2WEB Fecher, Gerhard
• [Wien] Exc for Chalcogenides shamik chakrabarti
  • Re: [Wien] Exc for Chalcogenides fabien . tran
  • Re: [Wien] Exc for Chalcogenides shamik chakrabarti
• [Wien] Unable to finish init_lapw. X patchsymm is also not helping. Pranjal Nandi
  • Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping. Peter Blaha
  • Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping. Pranjal Nandi
  • Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping. Peter Blaha
• [Wien] changed space group of doped supercell Ashwani Kumar
  • Re: [Wien] changed space group of doped supercell Peter Blaha
  • Re: [Wien] changed space group of doped supercell Ashwani Kumar
  • Re: [Wien] changed space group of doped supercell Laurence Marks
  • Re: [Wien] changed space group of doped supercell Ashwani Kumar
• [Wien] Confirming Chern z2 topological invariants using BerryPhase Burhan Ahmed
  • Re: [Wien] Confirming Chern z2 topological invariants using BerryPhase Rubel, Oleg
• [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential Laurence Marks
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential Peter Blaha
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential Peter Blaha
  • Re: [Wien] calculation with lmbj potential Laurence Marks
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential fabien . tran
  • Re: [Wien] calculation with lmbj potential fabien . tran
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential fabien . tran
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential Peter Blaha
  • Re: [Wien] calculation with lmbj potential Burhan Ahmed
  • Re: [Wien] calculation with lmbj potential Peter Blaha
  • [Wien] calculation with lmbj potential Burhan Ahmed
• [Wien] lapw0.def failed Brik Hamida
  • Re: [Wien] lapw0.def failed Laurence Marks
  • Re: [Wien] lapw0.def failed Gavin Abo
  • Re: [Wien] lapw0.def failed Brik Hamida
  • Re: [Wien] lapw0.def failed Laurence Marks
  • Re: [Wien] lapw0.def failed Brik Hamida
  • Re: [Wien] lapw0.def failed Laurence Marks
  • Re: [Wien] lapw0.def failed Gavin Abo
  • Re: [Wien] lapw0.def failed Brik Hamida
  • Re: [Wien] lapw0.def failed Laurence Marks
  • Re: [Wien] lapw0.def failed Brik Hamida
  • Re: [Wien] lapw0.def failed Laurence Marks
  • Re: [Wien] lapw0.def failed Gavin Abo
• [Wien] core states in spin-polarized calculations and the open-core method Jindrich Kolorenc
  • Re: [Wien] core states in spin-polarized calculations and the open-core method Laurence Marks
  • Re: [Wien] core states in spin-polarized calculations and the open-core method Peter Blaha
• [Wien] some error occur during scf calculation Rao Shruti Arya
  • Re: [Wien] some error occur during scf calculation Gavin Abo
• [Wien] System Error....Couldn't write to/. karina Khan
  • Re: [Wien] System Error....Couldn't write to/. Peter Blaha
  • Re: [Wien] System Error....Couldn't write to/. Peter Blaha
  • Re: [Wien] System Error....Couldn't write to/. karina Khan
  • Re: [Wien] System Error....Couldn't write to/. Laurence Marks
  • Re: [Wien] System Error....Couldn't write to/. karina Khan
  • Re: [Wien] System Error....Couldn't write to/. Gavin Abo
  • Re: [Wien] System Error....Couldn't write to/. Gavin Abo
  • Re: [Wien] System Error....Couldn't write to/. karina Khan
  • Re: [Wien] System Error....Couldn't write to/. Gavin Abo
• [Wien] GHOST BANDS error Natalia Andreeva
  • Re: [Wien] GHOST BANDS error Peter Blaha
  • Re: [Wien] GHOST BANDS error Natalia Andreeva
  • Re: [Wien] GHOST BANDS error Peter Blaha
  • Re: [Wien] GHOST BANDS error Natalia Andreeva
  • Re: [Wien] GHOST BANDS error fabien . tran
  • Re: [Wien] GHOST BANDS error Natalia Andreeva
• [Wien] xxmr2d:out of memory / estimate memory consumption Ilias, Miroslav
  • Re: [Wien] xxmr2d:out of memory / estimate memory consumption Laurence Marks
  • Re: [Wien] xxmr2d:out of memory / estimate memory consumption Ilias, Miroslav
  • Re: [Wien] xxmr2d:out of memory / estimate memory consumption Peter Blaha
• [Wien] WARNING elpa_setup during lapw1_mpi Ilias Miroslav, doc. RNDr., PhD.
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Laurence Marks
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Ilias, Miroslav
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Laurence Marks
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Ilias, Miroslav
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Gavin Abo
  • Re: [Wien] WARNING elpa_setup during lapw1_mpi Peter Blaha
• [Wien] error in nlvdw shamik chakrabarti
  • Re: [Wien] error in nlvdw Peter Blaha
  • Re: [Wien] error in nlvdw shamik chakrabarti
  • Re: [Wien] error in nlvdw shamik chakrabarti
  • Re: [Wien] error in nlvdw Peter Blaha
  • Re: [Wien] error in nlvdw fabien . tran
  • Re: [Wien] error in nlvdw shamik chakrabarti
• [Wien] 323 atoms, no symmetry ... is it doable ? Ilias Miroslav, doc. RNDr., PhD.
  • Re: [Wien] 323 atoms, no symmetry ... is it doable ? Laurence Marks
  • Re: [Wien] 323 atoms, no symmetry ... is it doable ? Peter Blaha
• [Wien] Fwd: x spaghetti error karina Khan
  • Re: [Wien] Fwd: x spaghetti error Peter Blaha
• [Wien] hf error -monolayer Brik Hamida
  • Re: [Wien] hf error -monolayer fabien . tran
  • Re: [Wien] hf error -monolayer Peter Blaha
  • Re: [Wien] hf error -monolayer Brik Hamida
  • Re: [Wien] hf error -monolayer fabien . tran
  • Re: [Wien] hf error -monolayer Brik Hamida
  • Re: [Wien] hf error -monolayer Brik Hamida
  • Re: [Wien] hf error -monolayer Gavin Abo
  • Re: [Wien] hf error -monolayer Brik Hamida
  • Re: [Wien] hf error -monolayer Gavin Abo
  • [Wien] hf error -monolayer Brik Hamida

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