wien

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2023/06/06 Re: [Wien] Surface dipole of a metal Fecher, Gerhard
2023/06/06 Re: [Wien] Surface dipole of a metal sjalali
2023/06/06 Re: [Wien] Surface dipole of a metal Laurence Marks
2023/06/06 Re: [Wien] Surface dipole of a metal sjalali
2023/06/06 [Wien] Surface dipole of a metal Laurence Marks
2023/06/06 Re: [Wien] FFTW compiling Laurence Marks
2023/06/06 Re: [Wien] FFTW compiling Pavel Ondračka
2023/06/06 Re: [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ? Pavel Ondračka
2023/06/05 Re: [Wien] No job scheduler Lawal Mohammed via Wien
2023/06/05 Re: [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ? Peter Blaha
2023/06/05 [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ? Ilias Miroslav, doc. RNDr., PhD.
2023/06/04 Re: [Wien] No job scheduler Peter Blaha
2023/06/04 Re: [Wien] Few questions regarding Install WIEN2k 23.2 with gfortran Peter Blaha
2023/06/04 [Wien] No job scheduler Lawal Mohammed via Wien
2023/06/04 [Wien] Few questions regarding Install WIEN2k 23.2 with gfortran Victor Zenou
2023/06/04 Re: [Wien] upgradation of wien2k Peter Blaha
2023/06/04 [Wien] upgradation of wien2k Burhan Ahmed
2023/06/04 Re: [Wien] FFTW compiling Gavin Abo
2023/06/04 Re: [Wien] FFTW compiling Ilias Miroslav, doc. RNDr., PhD.
2023/06/03 Re: [Wien] question about wein2k and libxc Natalia Andreeva
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Peter Blaha
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Laurence Marks
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Gavin Abo
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Laurence Marks
2023/06/02 Re: [Wien] relaxation and optimisation using r2SCAN Hamza Bouafia
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Brandon Gunn via Wien
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Brandon Gunn via Wien
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Jan Doumont
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Laurence Marks
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Brandon Gunn via Wien
2023/06/02 Re: [Wien] Issues with ifort and MKL while installing on Red Hat Brandon Gunn via Wien
2023/06/02 [Wien] Issues with ifort and MKL while installing on Red Hat Brandon Gunn via Wien
2023/06/02 Re: [Wien] shell script issue pluto via Wien
2023/06/02 Re: [Wien] Query about clean_lapw shamik chakrabarti
2023/06/02 Re: [Wien] Query about clean_lapw fabien . tran
2023/06/02 Re: [Wien] question about wein2k and libxc Peter Blaha
2023/06/02 Re: [Wien] almblm and radwf files Peter Blaha
2023/06/02 Re: [Wien] relaxation and optimisation using r2SCAN Laurence Marks
2023/06/02 [Wien] question about wein2k and libxc Natalia Andreeva
2023/06/02 Re: [Wien] relaxation and optimisation using r2SCAN Peter Blaha
2023/06/02 Re: [Wien] Query about clean_lapw Peter Blaha
2023/06/02 Re: [Wien] Install boltztrap1.2.5 عبدالرزاق خيرالدين
2023/06/02 [Wien] relaxation and optimisation using r2SCAN Hamza Bouafia
2023/06/02 [Wien] Query about clean_lapw shamik chakrabarti
2023/06/02 Re: [Wien] Install boltztrap1.2.5 Gavin Abo
2023/06/01 [Wien] Install boltztrap1.2.5 عبدالرزاق خيرالدين
2023/06/01 [Wien] almblm and radwf files pluto via Wien
2023/05/31 Re: [Wien] dispersion correction for superheavy elements in Wien2k ? Peter Blaha
2023/05/31 [Wien] dispersion correction for superheavy elements in Wien2k ? Ilias Miroslav, doc. RNDr., PhD.
2023/05/30 Re: [Wien] NMR calculations with f-block elements: lapw1 crash Peter Blaha
2023/05/30 Re: [Wien] relinking the code, keeping compiled object files Gavin Abo
2023/05/30 Re: [Wien] relinking the code, keeping compiled object files Peter Blaha
2023/05/30 Re: [Wien] relinking the code, keeping compiled object files Peter Blaha
2023/05/30 Re: [Wien] relinking the code, keeping compiled object files Ilias Miroslav, doc. RNDr., PhD.
2023/05/29 [Wien] NMR calculations with f-block elements: lapw1 crash Arkadii Pominov
2023/05/29 Re: [Wien] Installation of wien2k in compact clusters. Gavin Abo
2023/05/29 Re: [Wien] relinking the code, keeping compiled object files Peter Blaha
2023/05/29 Re: [Wien] relinking the code, keeping compiled object files Laurence Marks
2023/05/29 Re: [Wien] how to completely erase w2web setting ? Peter Blaha
2023/05/29 Re: [Wien] relinking the code, keeping compiled object files Ilias Miroslav, doc. RNDr., PhD.
2023/05/29 Re: [Wien] Installation of wien2k in compact clusters. Gavin Abo
2023/05/29 Re: [Wien] how to completely erase w2web setting ? Laurence Marks
2023/05/29 Re: [Wien] how to completely erase w2web setting ? Yundi Quan via Wien
2023/05/29 [Wien] how to completely erase w2web setting ? Ilias Miroslav, doc. RNDr., PhD.
2023/05/29 [Wien] Installation of wien2k in compact clusters. Burhan Ahmed
2023/05/29 Re: [Wien] relinking the code, keeping compiled object files Laurence Marks
2023/05/29 Re: [Wien] relinking the code, keeping compiled object files Ilias Miroslav, doc. RNDr., PhD.
2023/05/28 Re: [Wien] relinking the code, keeping compiled object files Gavin Abo
2023/05/28 Re: [Wien] relinking the code, keeping compiled object files Gavin Abo
2023/05/28 [Wien] relinking the code, keeping compiled object files Ilias Miroslav, doc. RNDr., PhD.
2023/05/28 Re: [Wien] SCAN+U in k parallel using Wien2k 21.1 Peter Blaha
2023/05/27 [Wien] SCAN+U in k parallel using Wien2k 21.1 Park, Ken
2023/05/25 Re: [Wien] [SPAM?] Supercell/surface construction Peter Blaha
2023/05/25 Re: [Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how? Peter Blaha
2023/05/25 [Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how? Neetu Malik
2023/05/25 [Wien] [SPAM?] Supercell/surface construction Burhan Ahmed
2023/05/25 Re: [Wien] regarding wien2k initialization issue Peter Blaha
2023/05/24 [Wien] regarding wien2k initialization issue Burhan Ahmed
2023/05/24 Re: [Wien] not able to cal densities using xcrysden Peter Blaha
2023/05/23 [Wien] not able to cal densities using xcrysden Neetu Malik
2023/05/22 Re: [Wien] DFT+U supercell calculation Peter Blaha
2023/05/22 [Wien] DFT+U supercell calculation Murat Aycibin
2023/05/19 Re: [Wien] Volume optimisation Peter Blaha
2023/05/19 Re: [Wien] Volume optimisation Peter Blaha
2023/05/19 Re: [Wien] Volume optimisation Neetu Malik
2023/05/19 [Wien] Volume optimisation Neetu Malik
2023/05/18 Re: [Wien] problem in uploading cif file Neetu Malik
2023/05/18 Re: [Wien] problem in uploading cif file Gavin Abo
2023/05/18 [Wien] problem in uploading cif file Neetu Malik
2023/05/17 Re: [Wien] APW+lo orbitals Peter Blaha
2023/05/17 Re: [Wien] Regarding the wien2k scf calculation initialization. Peter Blaha
2023/05/17 Re: [Wien] issue in initialising calculation Laurence Marks
2023/05/17 [Wien] issue in initialising calculation Neetu Malik
2023/05/17 Re: [Wien] Regarding the wien2k scf calculation initialization. chethanv Research Scholar
2023/05/17 Re: [Wien] Regarding the wien2k scf calculation initialization. Laurence Marks
2023/05/16 [Wien] APW+lo orbitals delamora
2023/05/16 Re: [Wien] Regarding the wien2k scf calculation initialization. chethanv Research Scholar
2023/05/16 Re: [Wien] Regarding the wien2k scf calculation initialization. Laurence Marks
2023/05/16 Re: [Wien] Regarding the wien2k scf calculation initialization. chethanv Research Scholar
2023/05/16 Re: [Wien] Regarding the wien2k scf calculation initialization. Peter Blaha
2023/05/16 Re: [Wien] Treatment of E^3 in xspec Peter Blaha
2023/05/16 [Wien] Regarding the wien2k scf calculation initialization. chethanv Research Scholar
2023/05/16 [Wien] Treatment of E^3 in xspec Weinhardt, Lothar (IPS)
2023/05/08 Re: [Wien] Transition probabilities and broadening Peter Blaha
2023/05/08 [Wien] Transition probabilities and broadening Luigi Maduro via Wien
2023/05/08 Re: [Wien] Regarding installation of software Laurence Marks
2023/05/08 [Wien] Regarding installation of software Neetu Malik
2023/05/05 Re: [Wien] Issue in initialization Peter Blaha
2023/05/02 Re: [Wien] Convergence Problem Peter Blaha
2023/05/02 Re: [Wien] Convergence Problem Hülya Gürçay
2023/05/02 Re: [Wien] Supercell calculation with DFT+U potential Peter Blaha
2023/05/01 [Wien] Supercell calculation with DFT+U potential Murat Aycibin
2023/04/26 [Wien] [SPAM?] Re: same k vector, different eigenvectors 曹迎迎
2023/04/26 Re: [Wien] [SPAM?] Re: same k vector, different eigenvectors Peter Blaha
2023/04/26 Re: [Wien] [SPAM?] Re: same k vector, different eigenvectors Laurence Marks
2023/04/26 [Wien] [SPAM?] Re: same k vector, different eigenvectors 曹迎迎
2023/04/25 Re: [Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors Peter Blaha
2023/04/25 [Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors 曹迎迎
2023/04/25 Re: [Wien] Convergence Problem Laurence Marks
2023/04/25 Re: [Wien] Convergence Problem Peter Blaha
2023/04/25 [Wien] Convergence Problem Hülya Gürçay
2023/04/24 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/23 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Laurence Marks
2023/04/23 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/20 Re: [Wien] shell script issue Laurence Marks
2023/04/20 Re: [Wien] shell script issue Peter Blaha
2023/04/20 Re: [Wien] [SPAM?] same k vector, different eigenvectors Peter Blaha
2023/04/20 [Wien] shell script issue pluto via Wien
2023/04/20 [Wien] [SPAM?] same k vector, different eigenvectors 曹迎迎 via Wien
2023/04/18 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Gavin Abo
2023/04/18 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/18 [Wien] Problem running fold2bloch interface with wien2k_17 DibyaR Prakash
2023/04/17 Re: [Wien] DMFT Gavin Abo
2023/04/17 Re: [Wien] DMFT delamora via Wien
2023/04/15 Re: [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/15 Re: [Wien] Wien2k access outside local area network Laurence Marks
2023/04/14 Re: [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/14 Re: [Wien] Wien2k access outside local area network Pavel Ondračka
2023/04/14 [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/12 [Wien] Calculation of flourescence spectra David Holec
2023/03/31 Re: [Wien] LDA+U delamora
2023/03/31 Re: [Wien] LDA+U Peter Blaha
2023/03/31 [Wien] LDA+U delamora
2023/03/31 [Wien] LDA+U delamora
2023/03/30 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Lyudmila Dobysheva via Wien
2023/03/30 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Lyudmila Dobysheva via Wien
2023/03/28 Re: [Wien] phonon_analyse Peter Blaha
2023/03/28 [Wien] phonon_analyse Hamza Bouafia
2023/03/27 Re: [Wien] High symmetry points of Graphene shamik chakrabarti
2023/03/27 [Wien] High symmetry points of Graphene shamik chakrabarti
2023/03/27 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Peter Blaha
2023/03/27 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Peter Blaha
2023/03/26 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/26 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/26 [Wien] w2web fat band plortting does not work with limited energy range in case.inq pluto via Wien
2023/03/25 Re: [Wien] XCrySDen Version: 1.6.2 Gavin Abo
2023/03/25 Re: [Wien] XCrySDen Version: 1.6.2 Peter Blaha
2023/03/24 Re: [Wien] XCrySDen Version: 1.6.2 delamora
2023/03/24 [Wien] XCrySDen Version: 1.6.2 delamora
2023/03/23 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Peter Blaha
2023/03/23 [Wien] [SPAM?] Re: Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Laurence Marks
2023/03/23 [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/21 Re: [Wien] Wien post from pascal.boulet Peter Blaha
2023/03/21 Re: [Wien] Limit the energy range for QTL band character calculation Peter Blaha
2023/03/20 Re: [Wien] Limit the energy range for QTL band character calculation pluto via Wien
2023/03/20 [Wien] Limit the energy range for QTL band character calculation pluto via Wien
2023/03/20 Re: [Wien] Wien post from pascal.boulet pboulet
2023/03/19 Re: [Wien] case.almblm along used-defined quantization axis Peter Blaha
2023/03/19 Re: [Wien] case.almblm along used-defined quantization axis pluto via Wien
2023/03/18 Re: [Wien] case.almblm along used-defined quantization axis Peter Blaha
2023/03/18 [Wien] case.almblm along used-defined quantization axis pluto via Wien
2023/03/18 Re: [Wien] DOS is coming as 0 in .txt filles shamik chakrabarti
2023/03/18 [Wien] DOS is coming as 0 in .txt filles shamik chakrabarti
2023/03/17 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/16 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Peter Blaha
2023/03/16 [Wien] Fwd: Wien post from pascal.boulet Peter Blaha
2023/03/15 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Tim Williams via Wien
2023/03/15 [Wien] [SPAM?] Re: illegal character: N in optimize job Laurence Marks
2023/03/15 Re: [Wien] illegal character: N in optimize job Peter Blaha
2023/03/15 [Wien] illegal character: N in optimize job pboulet
2023/03/15 [Wien] i7-13700K benchmarks pluto via Wien
2023/03/15 Re: [Wien] Lu Karel Vyborny
2023/03/15 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" pluto via Wien
2023/03/15 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Peter Blaha
2023/03/15 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" Peter Blaha
2023/03/14 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" Rubel, Oleg
2023/03/14 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Tim Williams via Wien
2023/03/14 [Wien] Difference between "x lapw2 -qtl" and "x qtl" pluto via Wien
2023/03/14 Re: [Wien] compiling the WIEN2k 23.1 version fabien . tran
2023/03/14 [Wien] [SPAM?] Re: compiling the WIEN2k 23.1 version Laurence Marks
2023/03/14 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/13 Re: [Wien] compiling the WIEN2k 23.1 version Laurence Marks
2023/03/13 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/09 Re: [Wien] XSPEC by using HF and TB-mBJ shamik chakrabarti
2023/03/09 Re: [Wien] XSPEC by using HF and TB-mBJ Peter Blaha
2023/03/09 [Wien] XSPEC by using HF and TB-mBJ shamik chakrabarti
2023/03/09 Re: [Wien] SEVERE BUG in WIEN2k_23.1 Peter Blaha
2023/03/08 Re: [Wien] SEVERE BUG in WIEN2k_23.1 Yun Yiu
2023/03/07 [Wien] SEVERE BUG in WIEN2k_23.1 Peter Blaha
2023/03/07 Re: [Wien] compiling the WIEN2k 23.1 version Peter Blaha