April 2012 Archives by date
Starting: Sun Apr 1 12:39:56 CEST 2012
Ending: Mon Apr 30 21:59:07 CEST 2012
Messages: 202
- [Wien] [Wien2k] AFM calculation
ahmad gharleghi
- [Wien] Re :
Mouna Mesbahi
- [Wien] plz help required
arqum hashmi
- [Wien] w2web single prog instgen_lapw
Gavin Abo
- [Wien] w2web single prog instgen_lapw
Ong Phuong Khuong (IHPC)
- [Wien] w2web single prog instgen_lapw
Gavin Abo
- [Wien] w2web single prog instgen_lapw
Peter Blaha
- [Wien] Optimization of hexagonal lattice
Souheyla Mamoun
- [Wien] Optimization of hexagonal lattice
Laurence Marks
- [Wien] Error LAPW0
Antonio Vanderlei dos Santos - Fisica
- [Wien] Error LAPW0
Laurence Marks
- [Wien] Error LAPW0
Antonio Vanderlei dos Santos - Fisica
- [Wien] Error LAPW0
Laurence Marks
- [Wien] Error LAPW0
Antonio Vanderlei dos Santos - Fisica
- [Wien] LDA+U
Haranath Ghosh
- [Wien] Run Wien2k on Mac OS X Lion
Marcelo Barbosa
- [Wien] LAPW1 in cycle 2
Antonio Vanderlei dos Santos - Fisica
- [Wien] Run Wien2k on Mac OS X Lion
Peter Blaha
- [Wien] LAPW1 in cycle 2
Peter Blaha
- [Wien] Run Wien2k on Mac OS X Lion
Gilles Hug
- [Wien] PhD positions at TU Vienna, Austria
Peter Blaha
- [Wien] LAPW2 CRASHED OBSERVED in parallel mode
Madhav Ghimire
- [Wien] IWMMS 2012
Iftikhar Ahmad
- [Wien] error LAPW1
Antonio Vanderlei dos Santos - Fisica
- [Wien] lstart
Antonio Vanderlei dos Santos - Fisica
- [Wien] lstart
Peter Blaha
- [Wien] klist_band
Bouabdellah AZOUZA
- [Wien] symmetry error: negative position in rstruc
Hong Jiang
- [Wien] symmetry error: negative position in rstruc
Peter Blaha
- [Wien] symmetry error: negative position in rstruc
Hong Jiang
- [Wien] Finding optimized c/a ratio
Mojtaba Zareii
- [Wien] symmetry error: negative position in rstruc
Peter Blaha
- [Wien] symmetry error: negative position in rstruc
Peter Blaha
- [Wien] Re :
ahmad gharleghi
- [Wien] Missing text field in w2web DOS task
Stefan Löffler
- [Wien] Missing text field in w2web DOS task
Peter Blaha
- [Wien] problem in ED calculation with specified energy range
bruce.tian
- [Wien] New program for extracting quantum oscillation information from calculated Fermi surfaces
Patrick Rourke
- [Wien] Wien mailing list submissions
rang sabz
- [Wien] help required
arqum hashmi
- [Wien] scp error
Yundi Quan
- [Wien] help required
Rocquefelte
- [Wien] help required
arqum hashmi
- [Wien] TELNES and problem of SO
bruce.tian
- [Wien] help required
Rocquefelte
- [Wien] help required
arqum hashmi
- [Wien] TELNES and problem of SO
Gavin Abo
- [Wien] force minimization
Yundi Quan
- [Wien] help required
Fecher, Gerhard
- [Wien] help required
Rocquefelte
- [Wien] help required
arqum hashmi
- [Wien] TELNES and problem of SO
Peter Blaha
- [Wien] help required
arqum hashmi
- [Wien] help required
Fecher, Gerhard
- [Wien] help required
Rocquefelte
- [Wien] help required
arqum hashmi
- [Wien] force minimization
Laurence Marks
- [Wien] help required
arqum hashmi
- [Wien] plz help required
arqum hashmi
- [Wien] Fw: plz help required
arqum hashmi
- [Wien] SOC strength
kangbugy at lycos.co.kr
- [Wien] Fw: plz help required
Rocquefelte
- [Wien] Fw: plz help required
arqum hashmi
- [Wien] Fw: plz help required
Rocquefelte
- [Wien] Fw: plz help required
arqum hashmi
- [Wien] Fw: plz help required
Rocquefelte
- [Wien] Fw: plz help required
Rocquefelte
- [Wien] Fw: plz help required
arqum hashmi
- [Wien] Fw: plz help required
arqum hashmi
- [Wien] Spin-orbit coupling does not change the DOS nature
Madhav Ghimire
- [Wien] supercell erro
علاء عبد الحميد
- [Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help
Madhav Ghimire
- [Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help
Peter Blaha
- [Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help
Madhav Ghimire
- [Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help
Peter Blaha
- [Wien] TELNES and problem of SO
bruce.tian
- [Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help
Madhav Ghimire
- [Wien] TELNES and problem of SO
Walid Hetaba
- [Wien] fat band plots for spin-up /dn for bandstructure
Karen tim
- [Wien] fat band plots for spin-up /dn for bandstructure
Lyudmila Dobysheva
- [Wien] TELNES and problem of SO
Walid Hetaba
- [Wien] hahahaha Really it's all over face bok!
Hajar Nejati
- [Wien] initso_lapw run time error
Hena Das
- [Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument
Aaron Sutton
- [Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument
Laurence Marks
- [Wien] initso_lapw run time error
Jian ZHOU
- [Wien] problem
Ramkumar Thapa
- [Wien] problem
Laurence Marks
- [Wien] initso_lapw run time error
Hena Das
- [Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument
Aaron Sutton
- [Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument
Laurence Marks
- [Wien] xcrysden to plot Fermi surface
Yundi Quan
- [Wien] xcrysden to plot Fermi surface
Peter Blaha
- [Wien] Reg: error in Lapw2
Swetarekha Ram
- [Wien] Reg: error in Lapw2
Laurence Marks
- [Wien] reg:lapw2 error
Swetarekha Ram
- [Wien] reg:lapw2 error
Laurence Marks
- [Wien] forrtl: severe (41): insufficient virtual memory
hyunjung kim
- [Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)
hyunjung kim
- [Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)
Laurence Marks
- [Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)
Peter Blaha
- [Wien] Query on structure optimization
Sanjeev K. Srivastava
- [Wien] Fixing the magnetic moment of atoms in Wien2k
Madhav Ghimire
- [Wien] Error in LAPW0 (For volume change of +6%)
Mojtaba Zareii
- [Wien] Error in LAPW0 (For volume change of +6%)
Peter Blaha
- [Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument
Aaron Sutton
- [Wien] (no subject)
Madhav Ghimire
- [Wien] (no subject)
Rocquefelte
- [Wien] (no subject)
Madhav Ghimire
- [Wien] (no subject)
Rocquefelte
- [Wien] (no subject)
Madhav Ghimire
- [Wien] (no subject)
ben amara imen
- [Wien] (no subject)
Laurence Marks
- [Wien] (no subject)
Rocquefelte
- [Wien] (no subject)
Rocquefelte
- [Wien] Re : (no subject)
larbi elfarh
- [Wien] Non-collinear spin structure
Hena Das
- [Wien] Non-collinear spin structure
Peter Blaha
- [Wien] (no subject)
Madhav Ghimire
- [Wien] Non-collinear spin structure
Hena Das
- [Wien] MSR1a -- feedback please (refs particularly)
Laurence Marks
- [Wien] View Crystal Structure Remote Machine
Aaron Sutton
- [Wien] x symmetry 2 missing
MingWenmei
- [Wien] x symmetry 2 missing
MingWenmei
- [Wien] View Crystal Structure Remote Machine
Gavin Abo
- [Wien] problem in parallel calculations
hyunjung kim
- [Wien] Help!
hyunjung kim
- [Wien] problem in parallel calculations
Laurence Marks
- [Wien] How to read Electron density Plot ?
qwef fwefwe
- [Wien] How to read Electron density Plot ?
Gavin Abo
- [Wien] How to show high symmetry directions in the Primitive Brillouin zone?
masood yousaf
- [Wien] How to read Electron density Plot ?
qwef fwefwe
- [Wien] Two same type of atoms in a material have different moments when SOC is applied. Reasonable or not? Help
Madhav Ghimire
- [Wien] MSR1a -- feedback please (refs particularly)
Peter Blaha
- [Wien] How to read Electron density Plot ?
Stefaan Cottenier
- [Wien] problem in parallel calculations
Peter Blaha
- [Wien] Two same type of atoms in a material have different moments when SOC is applied. Reasonable or not? Help
Peter Blaha
- [Wien] x symmetry 2 missing
Peter Blaha
- [Wien] How to read Electron density Plot ?
qwef fwefwe
- [Wien] How to read Electron density Plot ?
Stefaan Cottenier
- [Wien] problem in parallel calculations
Laurence Marks
- [Wien] error Lapw0
Jose Alfredo Camargo Martinez
- [Wien] scp error
Yundi Quan
- [Wien] how to see exact values of refractive index, extinction coefficient, optical conductivity, Reflectivity and absorbtivity ?
qwef fwefwe
- [Wien] how to see exact values of refractive index, extinction coefficient, optical conductivity, Reflectivity and absorbtivity ?
Rocquefelte
- [Wien] error Lapw0
Peter Blaha
- [Wien] structure file runs without error on SCF but same structure file gives error on optimization
qwef fwefwe
- [Wien] Re :structure file runs without error on SCF but same structure file gives error on optimization
kahal larbi
- [Wien] structure file runs without error on SCF but same structure file gives error on optimization
Rocquefelte
- [Wien] Re :structure file runs without error on SCF but same structure file gives error on optimization
Fecher, Gerhard
- [Wien] DOS at gamma point
ali ghafari
- [Wien] Segmentation Fault Running Spaghetti
Aaron Sutton
- [Wien] problems with wien2k 11 installation
Ramkumar Thapa
- [Wien] problems with wien2k 11 installation
Laurence Marks
- [Wien] problems with wien2k 11 installation
Gavin Abo
- [Wien] problem in installation
Jameson Maibam
- [Wien] problem in installation
Gavin Abo
- [Wien] lapwso.def crash
liu ting
- [Wien] DOS
ben amara imen
- [Wien] Seg Fault during Bandstructure Calculation
Aaron Sutton
- [Wien] Seg Fault during Bandstructure Calculation
Peter Blaha
- [Wien] DOS
Peter Blaha
- [Wien] lapwso.def crash
Peter Blaha
- [Wien] MPI parallel execution take much time than nonparallel on the same case on the multiprosesor single machine
jam
- [Wien] MPI parallel execution take much time than nonparallel on the same case on the multiprosesor single machine
Laurence Marks
- [Wien] Seg Fault during Bandstructure Calculation
Georg Eickerling
- [Wien] Seg Fault during Bandstructure Calculation
Aaron Sutton
- [Wien] Seg Fault during Bandstructure Calculation
Peter Blaha
- [Wien] Seg Fault during Bandstructure Calculation
Aaron Sutton
- [Wien] Seg Fault during Bandstructure Calculation
Gavin Abo
- [Wien] Seg Fault during Bandstructure Calculation
Fecher, Gerhard
- [Wien] Seg Fault during Bandstructure Calculation
Aaron Sutton
- [Wien] Seg Fault during Bandstructure Calculation
Gavin Abo
- [Wien] Seg Fault during Bandstructure Calculation
Georg Eickerling
- [Wien] Seg Fault during Bandstructure Calculation
Peter Blaha
- [Wien] Seg Fault during Bandstructure Calculation
Georg Eickerling
- [Wien] Seg Fault during Bandstructure Calculation
Peter Blaha
- [Wien] Seg Fault during Bandstructure Calculation
Georg Eickerling
- [Wien] Seg Fault during Bandstructure Calculation
Peter Blaha
- [Wien] Fw: lapwso.def crash
liu ting
- [Wien] Error in WIEN2k 11 installation
Jameson Maibam
- [Wien] Seg Fault during Bandstructure Calculation
Aaron Sutton
- [Wien] Error in WIEN2k 11 installation
Gavin Abo
- [Wien] [SPAM?] fwd:
Dr. Mohd. Shahid Khan
- [Wien] error in WIEN2k 11 installation
Jameson Maibam
- [Wien] error in WIEN2k 11 installation
Gavin Abo
- [Wien] clean_lapw (asking for assistance)
Saba Sabeti
- [Wien] clean_lapw (asking for assistance)
tran at theochem.tuwien.ac.at
- [Wien] Commandline: x nn
Mohamed ouaissa
- [Wien] installation of wien2k
Ramkumar Thapa
- [Wien] EROOR IN LAPW2 , 'OUTP' - EOF not reached
Ali ALLAM
- [Wien] EROOR IN LAPW2 , 'OUTP' - EOF not reached
Ali Allam
- [Wien] Commandline: x nn
Gavin Abo
- [Wien] symmetry converts "hexagonal structure" to "orthorhombic structure"
MingWenmei
- [Wien] symmetry converts "hexagonal structure" to "orthorhombic structure"
Laurence Marks
- [Wien] Generating Monoclinic base-centered, unique b-axis (space Group: C2 (Number:5)) structure
Bheema Lingam Chittari
- [Wien] Generating Monoclinic base-centered, unique b-axis (space Group: C2 (Number:5)) structure
Peter Blaha
- [Wien] symmetry converts "hexagonal structure" to "orthorhombic structure"
Peter Blaha
- [Wien] MPI parallel execution take much time than nonparallel on the same case on the multiprosesor single machine
hassan jamnejad
- [Wien] Generating Monoclinic base-centered, unique b-axis (space Group: C2 (Number:5)) structure
Bheema Lingam Chittari
- [Wien] Generating Monoclinic base-centered, unique b-axis (space Group: C2 (Number:5)) structure
Peter Blaha
- [Wien] [SPAM?] RE: symmetry converts "hexagonal structure" to "orthorhombic structure"
MingWenmei
Last message date:
Mon Apr 30 21:59:07 CEST 2012
Archived on: Mon Apr 30 21:59:29 CEST 2012
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