wien
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Re: [Wien] Instalation error
Gavin Abo
Re: [Wien] Instalation error
delamora
[Wien] w2web
delamora
[Wien] Query about getting converged solution using PRATT
shamik chakrabarti
Re: [Wien] Query about getting converged solution using PRATT
Laurence Marks
Re: [Wien] Query about getting converged solution using PRATT
shamik chakrabarti
Re: [Wien] Query about getting converged solution using PRATT
Peter Blaha
Re: [Wien] Query about getting converged solution using PRATT
shamik chakrabarti
Re: [Wien] Query about getting converged solution using PRATT
Peter Blaha
Re: [Wien] Query about getting converged solution using PRATT
shamik chakrabarti
[Wien] Continuing: Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Continuing: Converging full hybrid calculation
Peter Blaha
Re: [Wien] Continuing: Converging full hybrid calculation
shamik chakrabarti
[Wien] Converged solution with PRATT
shamik chakrabarti
Re: [Wien] Converged solution with PRATT
Peter Blaha
Re: [Wien] Converged solution with PRATT
shamik chakrabarti
[Wien] amorphous binary rare-earth transition metal alloys
sherif Yehia
Re: [Wien] amorphous binary rare-earth transition metal alloys
Gavin Abo
Re: [Wien] amorphous binary rare-earth transition metal alloys
Rubel, Oleg
[Wien] amorphous binary rare-earth transition metal alloys
sherif Yehia
[Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
Tran, Fabien
Re: [Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
Peter Blaha
Re: [Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
Tran, Fabien
Re: [Wien] Converging full hybrid calculation
shamik chakrabarti
Re: [Wien] Converging full hybrid calculation
Tran, Fabien
[Wien] compile error after applying patches_w2k_ver21.1
Ashwani Kumar
Re: [Wien] compile error after applying patches_w2k_ver21.1
Gavin Abo
Re: [Wien] compile error after applying patches_w2k_ver21.1
Ashwani Kumar
Re: [Wien] compile error after applying patches_w2k_ver21.1
Laurence Marks
Re: [Wien] compile error after applying patches_w2k_ver21.1
Gavin Abo
[Wien] Is MBJ applicable for half metals?
shamik chakrabarti
Re: [Wien] Is MBJ applicable for half metals?
Tran, Fabien
Re: [Wien] Is MBJ applicable for half metals?
shamik chakrabarti
[Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
Peter Blaha
Re: [Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
Peter Blaha
Re: [Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
Tran, Fabien
Re: [Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
shamik chakrabarti
Re: [Wien] Oscillating convergence
Tran, Fabien
[Wien] Problem with fold2Bloch in real calculations
Véronique BROUET
Re: [Wien] Problem with fold2Bloch in real calculations
Rubel, Oleg
[Wien] Problem with fold2Bloch in real calculations
Véronique BROUET
Re: [Wien] Problem with fold2Bloch in real calculations
Rubel, Oleg
Re: [Wien] Problem with fold2Bloch in real calculations
Rubel, Oleg
Re: [Wien] Problem with fold2Bloch in real calculations
Véronique BROUET
Re: [Wien] Problem with fold2Bloch in real calculations
Rubel, Oleg
Re: [Wien] Problem with fold2Bloch in real calculations
Véronique BROUET
[Wien] fold2bloch: unfolded band-structure plot have addition bands
Asif Ali
Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands
Rubel, Oleg
Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands
Asif Ali
Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands
Peter Blaha
Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands
Asif Ali
Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands
Rubel, Oleg
[Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite
Asif Ali
Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite
Peter Blaha
Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite
Asif Ali
[Wien] qtl-cfp
reyhaneh ebrahimi
Re: [Wien] qtl-cfp
Fecher, Gerhard
Re: [Wien] qtl-cfp
Tran, Fabien
[Wien] Mixer probelem
Igor I Mazin
Re: [Wien] Mixer probelem
Laurence Marks
Re: [Wien] Mixer probelem
Peter Blaha
Re: [Wien] Mixer probelem
Gavin Abo
Re: [Wien] Mixer probelem
Gavin Abo
[Wien] problems installing 21.1
Igor I Mazin
Re: [Wien] problems installing 21.1
Gavin Abo
[Wien] W2kinit_tmp_.F memory limit
Igor I Mazin
Re: [Wien] W2kinit_tmp_.F memory limit
Laurence Marks
Re: [Wien] W2kinit_tmp_.F memory limit
Peter Blaha
[Wien] error in parallel calculations
SANDEEP ARORA
Re: [Wien] error in parallel calculations
Gavin Abo
Re: [Wien] error in parallel calculations
SANDEEP ARORA
Re: [Wien] error in parallel calculations
Gavin Abo
Re: [Wien] error in parallel calculations
SANDEEP ARORA
Re: [Wien] error in parallel calculations
Gavin Abo
[Wien] Could not find E-Bottom in LAPW1
shamik chakrabarti
[Wien] QTL error TELNES
Philippe JONNARD
Re: [Wien] QTL error TELNES
Peter Blaha
Re: [Wien] QTL error TELNES
David Holec
[Wien] mstar: Error: dM is not finite
Dr. K. C. Bhamu
Re: [Wien] mstar: Error: dM is not finite
Gavin Abo
Re: [Wien] mstar: Error: dM is not finite
Laurence Marks
Re: [Wien] mstar: Error: dM is not finite
Rubel, Oleg
Re: [Wien] mstar: Error: dM is not finite
Dr. K. C. Bhamu
Re: [Wien] mstar: Error: dM is not finite
Dr. K. C. Bhamu
Re: [Wien] mstar: Error: dM is not finite
Rubel, Oleg
Re: [Wien] mstar: Error: dM is not finite
Dr. K. C. Bhamu
Re: [Wien] mstar: Error: dM is not finite
Gavin Abo
Re: [Wien] mstar: Error: dM is not finite
Dr. K. C. Bhamu
Re: [Wien] WARNING Backtracking, rise
Laurence Marks
[Wien] How to find the exact value of infinte epsilon?
Atefe Marasi
Re: [Wien] How to find the exact value of infinte epsilon?
xavier rocquefelte
Re: [Wien] How to find the exact value of infinte epsilon?
Pavel Ondračka
Re: [Wien] How to find the exact value of infinte epsilon?
Atefe Marasi
Re: [Wien] How to find the exact value of infinte epsilon?
Fecher, Gerhard
Re: [Wien] How to find the exact value of infinte epsilon?
Gavin Abo
Re: [Wien] How to find the exact value of infinte epsilon?
Atefe Marasi
[Wien] Continuing confusion in dos...
shamik chakrabarti
Re: [Wien] Continuing confusion in dos...
Tran, Fabien
Re: [Wien] Continuing confusion in dos...
shamik chakrabarti
Re: [Wien] Continuing confusion in dos...
Tran, Fabien
Re: [Wien] Continuing confusion in dos...
shamik chakrabarti
Re: [Wien] Continuing confusion in dos...
shamik chakrabarti
Re: [Wien] Continuing confusion in dos...
Tran, Fabien
Re: [Wien] Continuing confusion in dos...
shamik chakrabarti
Re: [Wien] Continuing confusion in dos...
Gavin Abo
Re: [Wien] Continuing confusion in dos...
Peter Blaha
Re: [Wien] Continuing confusion in dos...
Tran, Fabien
[Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
Tran, Fabien
Re: [Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
Peter Blaha
Re: [Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
Peter Blaha
Re: [Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
Tran, Fabien
Re: [Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
shamik chakrabarti
Re: [Wien] Confusion about DOS
shamik chakrabarti
[Wien] compilation problem
SANDEEP ARORA
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
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