wien
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Re: [Wien] compilation problem
Peter Blaha
[Wien] qtl
reyhaneh ebrahimi
Re: [Wien] qtl
Fecher, Gerhard
Re: [Wien] qtl
Peter Blaha
Re: [Wien] qtl
reyhaneh ebrahimi
[Wien] Simulation of DOS for a calculation with -hf
shamik chakrabarti
Re: [Wien] Simulation of DOS for a calculation with -hf
Tran, Fabien
[Wien] Shifting atoms in struct file for wanniertools
Asif Ali
Re: [Wien] Shifting atoms in struct file for wanniertools
Peter Blaha
Re: [Wien] Shifting atoms in struct file for wanniertools
Asif Ali
[Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
David Holec
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
David Holec
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
David Holec
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Peter Blaha
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Peter Blaha
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
David Holec
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
David Holec
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Gavin Abo
Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran
Pavel Ondračka
[Wien] Item shared with you: "AB0.75C0.25X3_YGZ.png"
Anupriya Nyayban (via Google Drive)
[Wien] Item shared with you: "AB0.75C0X3_GX.png"
Anupriya Nyayban (via Google Drive)
[Wien] Query regarding the k path selection for a supercell
Anupriya Nyayban
Re: [Wien] Query regarding the k path selection for a supercell
Anupriya Nyayban
Re: [Wien] Wien post from chen...@ttrssh.com.cn
Peter Blaha
Re: [Wien] Wien post from chen...@ttrssh.com.cn
Laurence Marks
[Wien] Mixer error: NEC01 charge leakage too large
ChenJie
Re: [Wien] Mixer error: NEC01 charge leakage too large
Laurence Marks
[Wien] 「Password」答复: Mixer error: NEC01 charge leakage_too_largeage too large
ChenJie
Re: [Wien] Mixer error: NEC01 charge leakage too large
Peter Blaha
[Wien] spaghetti.def failed
Peeyush Kumar Kamlesh
Re: [Wien] spaghetti.def failed
Fecher, Gerhard
[Wien] Doubts regarding the volume optimization of a triclinic cell
Anupriya Nyayban
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Peter Blaha
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Dr. K. C. Bhamu
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Anupriya Nyayban
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Gavin Abo
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Laurence Marks
Re: [Wien] Doubts regarding the volume optimization of a triclinic cell
Anupriya Nyayban
[Wien] Optimization prior to applying HSE06
shamik chakrabarti
Re: [Wien] Optimization prior to applying HSE06
Laurence Marks
Re: [Wien] Optimization prior to applying HSE06
shamik chakrabarti
Re: [Wien] Optimization prior to applying HSE06
Laurence Marks
[Wien] lapw2 -almd bug in wien2k 21.1
Harrison LaBollita
Re: [Wien] lapw2 -almd bug in wien2k 21.1
Peter Blaha
[Wien] new script optimize_abc_lapw
Mikhail Nestoklon
Re: [Wien] new script optimize_abc_lapw
Peter Blaha
Re: [Wien] new script optimize_abc_lapw
Mikhail Nestoklon
[Wien] generalized regular k-point grids
Pavel Ondračka
Re: [Wien] generalized regular k-point grids
Peter Blaha
Re: [Wien] generalized regular k-point grids
Laurence Marks
Re: [Wien] generalized regular k-point grids
Pavel Ondračka
[Wien] uplapw1.def failed
shamik chakrabarti
Re: [Wien] uplapw1.def failed
Laurence Marks
Re: [Wien] uplapw1.def failed
Gavin Abo
[Wien] install WIEN2k_21.1 on Ubuntu 21.04
Victor Zenou
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
Yundi Quan
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
Victor Zenou
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
Laurence Marks
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
Pavel Ondračka
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
David Sanchez
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
Victor Zenou
Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04
David Sanchez
[Wien] Change in mixing parameter during running
shamik chakrabarti
Re: [Wien] Change in mixing parameter during running
Laurence Marks
Re: [Wien] Change in mixing parameter during running
Fecher, Gerhard
[Wien] Basic question regarding mixing parameter & force optimization
shamik chakrabarti
Re: [Wien] Basic question regarding mixing parameter & force optimization
Laurence Marks
Re: [Wien] Basic question regarding mixing parameter & force optimization
Tran, Fabien
Re: [Wien] Basic question regarding mixing parameter & force optimization
shamik chakrabarti
Re: [Wien] Basic question regarding mixing parameter & force optimization
shamik chakrabarti
Re: [Wien] Basic question regarding mixing parameter & force optimization
Laurence Marks
Re: [Wien] Basic question regarding mixing parameter & force optimization
Laurence Marks
Re: [Wien] Basic question regarding mixing parameter & force optimization
Tran, Fabien
Re: [Wien] Basic question regarding mixing parameter & force optimization
Laurence Marks
Re: [Wien] Basic question regarding mixing parameter & force optimization
shamik chakrabarti
[Wien] Error in BerryPI Ver. Mar 15, 2021
turchenko
Re: [Wien] Error in BerryPI Ver. Mar 15, 2021
Rubel, Oleg
Re: [Wien] Error in BerryPI Ver. Mar 15, 2021
Rubel, Oleg
[Wien] Steps to perform volume optimization of orthorhombic structure
AJAY SINGH VERMA
Re: [Wien] Steps to perform volume optimization of orthorhombic structure
Peter Blaha
[Wien] About testing the FSM procedure to fix the convergence problem
Algerian Researcher
Re: [Wien] About testing the FSM procedure to fix the convergence problem
Laurence Marks
Re: [Wien] About testing the FSM procedure to fix the convergence problem
Algerian Researcher
Re: [Wien] About testing the FSM procedure to fix the convergence problem
Laurence Marks
Re: [Wien] About testing the FSM procedure to fix the convergence problem
Algerian Researcher
Re: [Wien] About testing the FSM procedure to fix the convergence problem
Laurence Marks
[Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
Peter Blaha
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
Peter Blaha
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
shamik chakrabarti
Re: [Wien] Query about HSE06
Tran, Fabien
Re: [Wien] Query about HSE06
shamik chakrabarti
[Wien] Fwd: Severe bug in SRC_aim
Peter Blaha
Re: [Wien] Fwd: Severe bug in SRC_aim
Gavin Abo
[Wien] modified analyze_phonon file
Hamza Bouafia
Re: [Wien] modified analyze_phonon file
Peter Blaha
[Wien] Increase points in klist_band
Wahid Kamal
Re: [Wien] Increase points in klist_band
Tran, Fabien
[Wien] Need help for purchasing hardware
SANDEEP ARORA
Re: [Wien] Need help for purchasing hardware
Peter Blaha
[Wien] Need help for purchasing hardware
SANDEEP ARORA
Re: [Wien] Need help for purchasing hardware
Laurence Marks
Re: [Wien] Need help for purchasing hardware
Laurence Marks
Re: [Wien] Need help for purchasing hardware
Peter Blaha
[Wien] Error in 2nd cycle
shamik chakrabarti
Re: [Wien] Error in 2nd cycle
Peter Blaha
Re: [Wien] Error in 2nd cycle
shamik chakrabarti
Re: [Wien] Error in 2nd cycle
Peter Blaha
Re: [Wien] Error in 2nd cycle
shamik chakrabarti
[Wien] A basic question regarding the band structure
shamik chakrabarti
Re: [Wien] A basic question regarding the band structure
Peter Blaha
Re: [Wien] A basic question regarding the band structure
shamik chakrabarti
[Wien] Ghost band error
shamik chakrabarti
Re: [Wien] Ghost band error
Gavin Abo
Re: [Wien] Ghost band error
shamik chakrabarti
[Wien] Ghost band error
shamik chakrabarti
[Wien] Fwd: Ghost band error
shamik chakrabarti
[Wien] Ghost Band error
shamik chakrabarti
Re: [Wien] Ghost Band error
Peter Blaha
Re: [Wien] Ghost Band error
shamik chakrabarti
Re: [Wien] Ghost Band error
shamik chakrabarti
Re: [Wien] Ghost Band error
Lyudmila Dobysheva via Wien
Re: [Wien] Ghost Band error
shamik chakrabarti
[Wien] Ghost band error
shamik chakrabarti
Re: [Wien] Ghost band error
shamik chakrabarti
[Wien] query for elastic constants
fatima DFT
Re: [Wien] query for elastic constants
fatima DFT
Re: [Wien] query for elastic constants
Laurence Marks
Re: [Wien] query for elastic constants
fatima DFT
Re: [Wien] query for elastic constants
Laurence Marks
Re: [Wien] query for elastic constants
fatima DFT
Re: [Wien] query for elastic constants
Peter Blaha
Re: [Wien] query for elastic constants
fatima DFT
Re: [Wien] query for elastic constants
fatima DFT
[Wien] mBJ+SOC
Wahid Kamal
Re: [Wien] mBJ+SOC
Tran, Fabien
Re: [Wien] mBJ+SOC
Wahid Kamal
[Wien] join_vectorfiles and fold2bloch mismatch
Marcus Ekholm
Re: [Wien] join_vectorfiles and fold2bloch mismatch
Rubel, Oleg
Re: [Wien] join_vectorfiles and fold2bloch mismatch
Peter Blaha
[Wien] running wien2k using aprun command at Cray XC40
venky ch
Re: [Wien] running wien2k using aprun command at Cray XC40
Laurence Marks
Re: [Wien] running wien2k using aprun command at Cray XC40
Laurence Marks
Re: [Wien] running wien2k using aprun command at Cray XC40
venky ch
Re: [Wien] running wien2k using aprun command at Cray XC40
Laurence Marks
Re: [Wien] running wien2k using aprun command at Cray XC40
venky ch
Re: [Wien] running wien2k using aprun command at Cray XC40
Laurence Marks
[Wien] Error in x tetra
Peeyush Kumar Kamlesh
Re: [Wien] Error in x tetra
Tran, Fabien
Re: [Wien] Error in x tetra
Peeyush Kumar Kamlesh
[Wien] Fwd: Some- QUESTIONS- Replies- about-IRelast-Package
Peter Blaha
[Wien] The problem for atomic forces in the supercells of lanthanides compounds
Artem Tarasov
Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds
Laurence Marks
Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds
Peter Blaha
Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds
lyuk...@mail.ru
[Wien] The problem for atomic forces in the supercells of lanthanides compounds
Artem Tarasov
[Wien] Mailing list removal
V. Maxwell
[Wien] dstart error in wien2k ver21_1
Ashwani Kumar
Re: [Wien] dstart error in wien2k ver21_1
Laurence Marks
Re: [Wien] dstart error in wien2k ver21_1
Ashwani Kumar
Re: [Wien] dstart error in wien2k ver21_1
Laurence Marks
Re: [Wien] dstart error in wien2k ver21_1
Ashwani Kumar
[Wien] Warning in total energy
Anupriya Nyayban
Re: [Wien] Warning in total energy
Laurence Marks
[Wien] Error In lapw2 while doing AFM calculation
413119008
Re: [Wien] Error In lapw2 while doing AFM calculation
Gavin Abo
Re: [Wien] Error In lapw2 while doing AFM calculation
Lyudmila Dobysheva
[Wien] Fermi surface with orbital characters
Anatoly Slobodchikov
Re: [Wien] Fermi surface with orbital characters
Peter Blaha
[Wien] converting struct file into CIF formant
413119008
Re: [Wien] converting struct file into CIF formant
Laurence Marks
Re: [Wien] converting struct file into CIF formant
Gavin Abo
Re: [Wien] converting struct file into CIF formant
Laurence Marks
Re: [Wien] converting struct file into CIF formant
Gavin Abo
Re: [Wien] converting struct file into CIF formant
Laurence Marks
Re: [Wien] converting struct file into CIF formant
Fecher, Gerhard
Re: [Wien] converting struct file into CIF formant
Laurence Marks
Re: [Wien] converting struct file into CIF formant
413119008
[Wien] unable to find the "x" executable path at Cray node
venky ch
Re: [Wien] unable to find the "x" executable path at Cray node
venky ch
[Wien] Mixing
Laurence Marks
Re: [Wien] Mixing
Luis Ogando
Re: [Wien] Mixing
Hamza Bouafia
[Wien] Regarding "gather_energy.pl"
Mohaddeseh Abbasnejad
Re: [Wien] Regarding "gather_energy.pl"
Gavin Abo
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