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[Wien] lapw1.def failed
shamik chakrabarti
Re: [Wien] lapw1.def failed
Lyudmila Dobysheva via Wien
Re: [Wien] lapw1.def failed
Fecher, Gerhard
Re: [Wien] lapw1.def failed
shamik chakrabarti
Re: [Wien] lapw1.def failed
Gavin Abo
[Wien] Slurm + Intel impi
Laurence Marks
[Wien] effective mass calculation using mstar
Burhan Ahmed
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Burhan Ahmed
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Burhan Ahmed
[Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
[Wien] Volume optimization of Sulfur
shamik chakrabarti
Re: [Wien] Volume optimization of Sulfur
pboulet
Re: [Wien] Volume optimization of Sulfur
shamik chakrabarti
[Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
[Wien] Ifort compiler error for wplot for newest one api Version 2024.0
Michael Fechtelkord via Wien
[Wien] Cholesky error in slab structure
Natalia Andreeva
Re: [Wien] Cholesky error in slab structure
Peter Blaha
[Wien] lapwso segfault
Mikhail Nestoklon via Wien
Re: [Wien] lapwso segfault
Peter Blaha
[Wien] Berrypi Error
shahrbano rahimi
Re: [Wien] Berrypi Error
Rubel, Oleg
Re: [Wien] Berrypi Error
Rubel, Oleg
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm invalid pointer error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Fecher, Gerhard
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
[Wien] Problem in All compilation
Shahid Mahmood Chaudhry via Wien
Re: [Wien] Problem in All compilation
Gavin Abo
Re: [Wien] Problem in All compilation
Shahid Mahmood Chaudhry via Wien
Re: [Wien] Problem in All compilation
Peter Blaha
[Wien] Using WIEN2K with spack
Sidney Pendelberry via Wien
[Wien] Error in bandstructure using x spaghetti
夏宇阳
Re: [Wien] Error in bandstructure using x spaghetti
Peter Blaha
[Wien] Parallel LAPW1 job suspended without any error message
heungsikim
Re: [Wien] Parallel LAPW1 job suspended without any error message
Peter Blaha
[Wien] wien2k workshop
Peter Blaha
[Wien] wien2k workshop
Peter Blaha
Re: [Wien] wien2k workshop
Israel Omar Perez Lopez
[Wien] wien2k workshop
Peter Blaha
Re: [Wien] wien2k workshop
Chukwuemeka Okoye
[Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Laurence Marks
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Gavin Abo
[Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
[Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] CuO crash
Peter Blaha
[Wien] Request to add my email to the WIEN2k mail list
RAKESH DAS
[Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Peter Blaha
[Wien] Re-converge with smaller Ecut
pluto via Wien
Re: [Wien] Re-converge with smaller Ecut
Peter Blaha
[Wien] Speed of cluster nodes
pluto via Wien
Re: [Wien] Speed of cluster nodes
Peter Blaha
Re: [Wien] Speed of cluster nodes
pluto via Wien
Re: [Wien] Speed of cluster nodes
Peter Blaha
Re: [Wien] WIEN2k-3233
Burhan Ahmed
[Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Lyudmila Dobysheva via Wien
Re: [Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Laurence Marks
Re: [Wien] WIEN2k-3233
Peter Blaha
Re: [Wien] WIEN2k-3233
Lyudmila Dobysheva via Wien
Re: [Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Peter Blaha
[Wien] init_lapw -nodstart and mBJ
Mikhail Nestoklon via Wien
Re: [Wien] init_lapw -nodstart and mBJ
Peter Blaha
Re: [Wien] init_lapw -nodstart and mBJ
Mikhail Nestoklon via Wien
[Wien] Error in parallel calculation
Victor Zenou
Re: [Wien] Error in parallel calculation
Peter Blaha
Re: [Wien] Error in parallel calculation
Victor Zenou
[Wien] error in Fermi
shamik chakrabarti
Re: [Wien] error in Fermi
Lyudmila Dobysheva via Wien
Re: [Wien] error in Fermi
shamik chakrabarti
Re: [Wien] elastic
morteza jamal via Wien
[Wien] Hubbard calculation
Murat Aycibin
Re: [Wien] Hubbard calculation
Peter Blaha
Re: [Wien] Hubbard calculation
Igor I Mazin
[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] 27th WIEN2k workshop (application is open)
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
Earlier messages
Later messages