Messages by Date
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2023/06/21
Re: [Wien] hf error -monolayer
Brik Hamida
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2023/06/21
Re: [Wien] hf error -monolayer
fabien . tran
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2023/06/21
[Wien] hf error -monolayer
Brik Hamida
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2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Peter Blaha
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2023/06/21
Re: [Wien] upgradation of wien2k
Burhan Ahmed
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2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Hülya Gürçay
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2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Hülya Gürçay
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2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Peter Blaha
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2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
Peter Blaha
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2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Gavin Abo
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2023/06/20
[Wien] Difference in DOS and BAND graphics
Hülya Gürçay
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2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Ilias Miroslav, doc. RNDr., PhD.
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2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Peter Blaha
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2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
pluto via Wien
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2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Burhan Ahmed
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2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Peter Blaha
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2023/06/20
[Wien] calculation of surface/slab using lmbj potential
Burhan Ahmed
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2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Peter Blaha
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2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
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2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
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2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Burhan Ahmed
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2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Peter Blaha
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2023/06/20
[Wien] ** testerror: Error in Parallel LAPW
Ilias Miroslav, doc. RNDr., PhD.
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2023/06/20
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Peter Blaha
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2023/06/20
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Pranjal Nandi
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2023/06/19
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
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2023/06/19
[Wien] Calculation of surface state using lmbj potential with SO coupling.
Burhan Ahmed
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2023/06/19
Re: [Wien] Strategy for a large slab with SP and SOC
pluto via Wien
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2023/06/18
Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
髙村仁
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2023/06/18
Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
Peter Blaha
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2023/06/18
[Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
髙村仁
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2023/06/17
Re: [Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
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2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Laurence Marks
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2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Peter Blaha
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2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Peter Blaha
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2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
pluto via Wien
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2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
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2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Peter Blaha
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2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Laurence Marks
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2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Peter Blaha
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2023/06/16
[Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
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2023/06/16
[Wien] Strategy for a large slab with SP and SOC
pluto via Wien
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2023/06/16
Re: [Wien] lapw1 vs lapwso speed
pluto via Wien
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2023/06/15
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Peter Blaha
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2023/06/15
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Laurence Marks
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2023/06/15
[Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Pranjal Nandi
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2023/06/14
Re: [Wien] Constrained DFT for excited state calculations
Seyed Javad Hashemifar
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2023/06/14
Re: [Wien] Constrained DFT for excited state calculations
Peter Blaha
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2023/06/14
Re: [Wien] Constrained DFT for excited state calculations
Laurence Marks
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2023/06/14
Re: [Wien] Constrained DFT for excited state calculations
Yundi Quan via Wien
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2023/06/14
[Wien] Constrained DFT for excited state calculations
Seyed Javad Hashemifar
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2023/06/12
Re: [Wien] Compile linking errors
Peter Blaha
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2023/06/12
Re: [Wien] Compile linking errors
Victor Zenou
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2023/06/12
Re: [Wien] Compile linking errors
Victor Zenou
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2023/06/12
Re: [Wien] Compile linking errors
Peter Blaha
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2023/06/12
[Wien] Compile linking errors
Victor Zenou
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2023/06/12
Re: [Wien] STOP SPHBES - Error
Peter Blaha
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2023/06/12
[Wien] STOP SPHBES - Error
Ilias Miroslav, doc. RNDr., PhD.
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2023/06/11
Re: [Wien] lapw1 vs lapwso speed
Peter Blaha
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2023/06/11
Re: [Wien] lapw1 vs lapwso speed
Laurence Marks
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2023/06/11
Re: [Wien] lapw1 vs lapwso speed
sjalali
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2023/06/11
Re: [Wien] lapw1 vs lapwso speed
Yundi Quan via Wien
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2023/06/11
Re: [Wien] lapw1 vs lapwso speed
Peter Blaha
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2023/06/11
[Wien] lapw1 vs lapwso speed
pluto via Wien
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2023/06/08
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/07
Re: [Wien] Large band gap in Graphite with HSE06
shamik chakrabarti
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2023/06/07
[Wien] Large band gap in Graphite with HSE06
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
Peter Blaha
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
Peter Blaha
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
Peter Blaha
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2023/06/07
Re: [Wien] Band gap not matching with materials project data
fabien . tran
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2023/06/07
Re: [Wien] Surface dipole of a metal
Peter Blaha
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2023/06/07
Re: [Wien] Surface dipole of a metal
Laurence Marks
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2023/06/07
[Wien] Band gap not matching with materials project data
shamik chakrabarti
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2023/06/06
Re: [Wien] Surface dipole of a metal
Fecher, Gerhard
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2023/06/06
Re: [Wien] Surface dipole of a metal
sjalali
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2023/06/06
Re: [Wien] Surface dipole of a metal
Laurence Marks
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2023/06/06
Re: [Wien] Surface dipole of a metal
sjalali
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2023/06/06
[Wien] Surface dipole of a metal
Laurence Marks
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2023/06/06
Re: [Wien] FFTW compiling
Laurence Marks
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2023/06/06
Re: [Wien] FFTW compiling
Pavel Ondračka
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2023/06/06
Re: [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?
Pavel Ondračka
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2023/06/05
Re: [Wien] No job scheduler
Lawal Mohammed via Wien
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2023/06/05
Re: [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?
Peter Blaha
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2023/06/05
[Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?
Ilias Miroslav, doc. RNDr., PhD.
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2023/06/04
Re: [Wien] No job scheduler
Peter Blaha
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2023/06/04
Re: [Wien] Few questions regarding Install WIEN2k 23.2 with gfortran
Peter Blaha
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2023/06/04
[Wien] No job scheduler
Lawal Mohammed via Wien
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2023/06/04
[Wien] Few questions regarding Install WIEN2k 23.2 with gfortran
Victor Zenou
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2023/06/04
Re: [Wien] upgradation of wien2k
Peter Blaha
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2023/06/04
[Wien] upgradation of wien2k
Burhan Ahmed
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2023/06/04
Re: [Wien] FFTW compiling
Gavin Abo
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2023/06/04
Re: [Wien] FFTW compiling
Ilias Miroslav, doc. RNDr., PhD.
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2023/06/03
Re: [Wien] question about wein2k and libxc
Natalia Andreeva
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Peter Blaha
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Laurence Marks
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Gavin Abo
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Laurence Marks
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2023/06/02
Re: [Wien] relaxation and optimisation using r2SCAN
Hamza Bouafia
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Jan Doumont
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Laurence Marks
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/02
Re: [Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/02
[Wien] Issues with ifort and MKL while installing on Red Hat
Brandon Gunn via Wien
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2023/06/02
Re: [Wien] shell script issue
pluto via Wien
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2023/06/02
Re: [Wien] Query about clean_lapw
shamik chakrabarti
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2023/06/02
Re: [Wien] Query about clean_lapw
fabien . tran
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2023/06/02
Re: [Wien] question about wein2k and libxc
Peter Blaha
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2023/06/02
Re: [Wien] almblm and radwf files
Peter Blaha
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2023/06/02
Re: [Wien] relaxation and optimisation using r2SCAN
Laurence Marks
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2023/06/02
[Wien] question about wein2k and libxc
Natalia Andreeva
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2023/06/02
Re: [Wien] relaxation and optimisation using r2SCAN
Peter Blaha
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2023/06/02
Re: [Wien] Query about clean_lapw
Peter Blaha
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2023/06/02
Re: [Wien] Install boltztrap1.2.5
عبدالرزاق خيرالدين
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2023/06/02
[Wien] relaxation and optimisation using r2SCAN
Hamza Bouafia
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2023/06/02
[Wien] Query about clean_lapw
shamik chakrabarti
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2023/06/02
Re: [Wien] Install boltztrap1.2.5
Gavin Abo
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2023/06/01
[Wien] Install boltztrap1.2.5
عبدالرزاق خيرالدين
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2023/06/01
[Wien] almblm and radwf files
pluto via Wien
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2023/05/31
Re: [Wien] dispersion correction for superheavy elements in Wien2k ?
Peter Blaha
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2023/05/31
[Wien] dispersion correction for superheavy elements in Wien2k ?
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/30
Re: [Wien] NMR calculations with f-block elements: lapw1 crash
Peter Blaha
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2023/05/30
Re: [Wien] relinking the code, keeping compiled object files
Gavin Abo
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2023/05/30
Re: [Wien] relinking the code, keeping compiled object files
Peter Blaha
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2023/05/30
Re: [Wien] relinking the code, keeping compiled object files
Peter Blaha
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2023/05/30
Re: [Wien] relinking the code, keeping compiled object files
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/29
[Wien] NMR calculations with f-block elements: lapw1 crash
Arkadii Pominov
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2023/05/29
Re: [Wien] Installation of wien2k in compact clusters.
Gavin Abo
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2023/05/29
Re: [Wien] relinking the code, keeping compiled object files
Peter Blaha
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2023/05/29
Re: [Wien] relinking the code, keeping compiled object files
Laurence Marks
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2023/05/29
Re: [Wien] how to completely erase w2web setting ?
Peter Blaha
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2023/05/29
Re: [Wien] relinking the code, keeping compiled object files
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/29
Re: [Wien] Installation of wien2k in compact clusters.
Gavin Abo
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2023/05/29
Re: [Wien] how to completely erase w2web setting ?
Laurence Marks
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2023/05/29
Re: [Wien] how to completely erase w2web setting ?
Yundi Quan via Wien
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2023/05/29
[Wien] how to completely erase w2web setting ?
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/29
[Wien] Installation of wien2k in compact clusters.
Burhan Ahmed
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2023/05/29
Re: [Wien] relinking the code, keeping compiled object files
Laurence Marks
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2023/05/29
Re: [Wien] relinking the code, keeping compiled object files
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/28
Re: [Wien] relinking the code, keeping compiled object files
Gavin Abo
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2023/05/28
Re: [Wien] relinking the code, keeping compiled object files
Gavin Abo
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2023/05/28
[Wien] relinking the code, keeping compiled object files
Ilias Miroslav, doc. RNDr., PhD.
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2023/05/28
Re: [Wien] SCAN+U in k parallel using Wien2k 21.1
Peter Blaha
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2023/05/27
[Wien] SCAN+U in k parallel using Wien2k 21.1
Park, Ken
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2023/05/25
Re: [Wien] [SPAM?] Supercell/surface construction
Peter Blaha
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2023/05/25
Re: [Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how?
Peter Blaha
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2023/05/25
[Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how?
Neetu Malik
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2023/05/25
[Wien] [SPAM?] Supercell/surface construction
Burhan Ahmed
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2023/05/25
Re: [Wien] regarding wien2k initialization issue
Peter Blaha
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2023/05/24
[Wien] regarding wien2k initialization issue
Burhan Ahmed
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2023/05/24
Re: [Wien] not able to cal densities using xcrysden
Peter Blaha
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2023/05/23
[Wien] not able to cal densities using xcrysden
Neetu Malik
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2023/05/22
Re: [Wien] DFT+U supercell calculation
Peter Blaha
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2023/05/22
[Wien] DFT+U supercell calculation
Murat Aycibin
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2023/05/19
Re: [Wien] Volume optimisation
Peter Blaha
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2023/05/19
Re: [Wien] Volume optimisation
Peter Blaha
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2023/05/19
Re: [Wien] Volume optimisation
Neetu Malik
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2023/05/19
[Wien] Volume optimisation
Neetu Malik
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2023/05/18
Re: [Wien] problem in uploading cif file
Neetu Malik
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2023/05/18
Re: [Wien] problem in uploading cif file
Gavin Abo
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2023/05/18
[Wien] problem in uploading cif file
Neetu Malik
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2023/05/17
Re: [Wien] APW+lo orbitals
Peter Blaha
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2023/05/17
Re: [Wien] Regarding the wien2k scf calculation initialization.
Peter Blaha
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2023/05/17
Re: [Wien] issue in initialising calculation
Laurence Marks
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2023/05/17
[Wien] issue in initialising calculation
Neetu Malik
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2023/05/17
Re: [Wien] Regarding the wien2k scf calculation initialization.
chethanv Research Scholar
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2023/05/17
Re: [Wien] Regarding the wien2k scf calculation initialization.
Laurence Marks
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2023/05/16
[Wien] APW+lo orbitals
delamora
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2023/05/16
Re: [Wien] Regarding the wien2k scf calculation initialization.
chethanv Research Scholar
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2023/05/16
Re: [Wien] Regarding the wien2k scf calculation initialization.
Laurence Marks
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2023/05/16
Re: [Wien] Regarding the wien2k scf calculation initialization.
chethanv Research Scholar
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2023/05/16
Re: [Wien] Regarding the wien2k scf calculation initialization.
Peter Blaha
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2023/05/16
Re: [Wien] Treatment of E^3 in xspec
Peter Blaha
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2023/05/16
[Wien] Regarding the wien2k scf calculation initialization.
chethanv Research Scholar
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2023/05/16
[Wien] Treatment of E^3 in xspec
Weinhardt, Lothar (IPS)
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2023/05/08
Re: [Wien] Transition probabilities and broadening
Peter Blaha
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2023/05/08
[Wien] Transition probabilities and broadening
Luigi Maduro via Wien
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2023/05/08
Re: [Wien] Regarding installation of software
Laurence Marks
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2023/05/08
[Wien] Regarding installation of software
Neetu Malik
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2023/05/05
Re: [Wien] Issue in initialization
Peter Blaha
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2023/05/02
Re: [Wien] Convergence Problem
Peter Blaha
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2023/05/02
Re: [Wien] Convergence Problem
Hülya Gürçay
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2023/05/02
Re: [Wien] Supercell calculation with DFT+U potential
Peter Blaha
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2023/05/01
[Wien] Supercell calculation with DFT+U potential
Murat Aycibin
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2023/04/26
[Wien] [SPAM?] Re: same k vector, different eigenvectors
曹迎迎
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2023/04/26
Re: [Wien] [SPAM?] Re: same k vector, different eigenvectors
Peter Blaha
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2023/04/26
Re: [Wien] [SPAM?] Re: same k vector, different eigenvectors
Laurence Marks
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2023/04/26
[Wien] [SPAM?] Re: same k vector, different eigenvectors
曹迎迎
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2023/04/25
Re: [Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors
Peter Blaha
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2023/04/25
[Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors
曹迎迎
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2023/04/25
Re: [Wien] Convergence Problem
Laurence Marks
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2023/04/25
Re: [Wien] Convergence Problem
Peter Blaha
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2023/04/25
[Wien] Convergence Problem
Hülya Gürçay