December 2015 Archives by date
Starting: Tue Dec 1 03:00:25 CET 2015
Ending: Thu Dec 31 20:49:36 CET 2015
Messages: 166
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] SCF and symmetry
Laurence Marks
- [Wien] SCF and symmetry
Peter Blaha
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] SCF and symmetry
Peter Blaha
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] SCF and symmetry
Peter Blaha
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] woptic: optical conductivity from Wien2k+many-body calculations
Elias Assmann
- [Wien] SCF and symmetry
Laurence Marks
- [Wien] SCF and symmetry
Peter Blaha
- [Wien] SCF and symmetry
Bruno Landeros
- [Wien] (no subject)
Dr. K. C. Bhamu
- [Wien] :FCHECK in Wien2k 13.1 vs. 14
Elias Assmann
- [Wien] (no subject)
Dr. K. C. Bhamu
- [Wien] (no subject)
Fecher, Gerhard
- [Wien] (no subject)
Lyudmila Dobysheva
- [Wien] (no subject)
Dr. K. C. Bhamu
- [Wien] (no subject)
Dr. K. C. Bhamu
- [Wien] Fwd: Strain
Muhammad Sajjad
- [Wien] Fwd: Strain
Fecher, Gerhard
- [Wien] Fwd: Strain
Muhammad Sajjad
- [Wien] Fwd: Strain
Fecher, Gerhard
- [Wien] Fwd: Strain
Tomas Kana
- [Wien] Fwd: Strain
Muhammad Sajjad
- [Wien] Fwd: Strain
pieper
- [Wien] Fwd: Strain
Muhammad Sajjad
- [Wien] Formula full-potential
Tuan Vu
- [Wien] DFT-D3 Forces
Bruno Landeros
- [Wien] DFT-D3 Forces
tran at theochem.tuwien.ac.at
- [Wien] Formula full-potential
tran at theochem.tuwien.ac.at
- [Wien] Issue with different convergence results and QTL-B warnings
Michał Wojciechowski
- [Wien] Correct band gap value
Muhammad Sajjad
- [Wien] Correct band gap value
tran at theochem.tuwien.ac.at
- [Wien] Correct band gap value
Muhammad Sajjad
- [Wien] Correct band gap value
tran at theochem.tuwien.ac.at
- [Wien] Correct band gap value
Muhammad Sajjad
- [Wien] Correct band gap value
Fecher, Gerhard
- [Wien] Correct band gap value
Muhammad Sajjad
- [Wien] Correct band gap value
Muhammad Sajjad
- [Wien] Stress values
Muhammad Sajjad
- [Wien] Issue with different convergence results and QTL-B warnings
Lyudmila Dobysheva
- [Wien] Stress values
Fecher, Gerhard
- [Wien] Correct band gap value
Fecher, Gerhard
- [Wien] Issue with different convergence results and QTL-B warnings
Peter Blaha
- [Wien] mBJ for FeO
John McLeod
- [Wien] Issue with different convergence results and QTL-B warnings
Michał Wojciechowski
- [Wien] msr1a: charged or uncharged supercell?
Yocefu Hattori
- [Wien] msr1a: charged or uncharged supercell?
Laurence Marks
- [Wien] mBJ for FeO
tran at theochem.tuwien.ac.at
- [Wien] mBJ for FeO
tran at theochem.tuwien.ac.at
- [Wien] mBJ for FeO
John McLeod
- [Wien] Another Question
Elias Assmann
- [Wien] Formula full-potential
Tuan Vu
- [Wien] MBJ, case.in0_grr
shima pourrad
- [Wien] MBJ, case.in0_grr
tran at theochem.tuwien.ac.at
- [Wien] MBJ, case.in0_grr
shima pourrad
- [Wien] MBJ, case.in0_grr
tran at theochem.tuwien.ac.at
- [Wien] Molecular dynamics using Wien2k
Guo-ping Zhang
- [Wien] Energy gap zero in outputtrance file of Boltztrap calculation
saurabh singh
- [Wien] Energy gap zero in outputtrance file of Boltztrap calculation
Gavin Abo
- [Wien] Orbital character at higher energy level above fermi
Santu Baidya
- [Wien] MBJ, case.in0_grr
shima pourrad
- [Wien] MBJ, case.in0_grr
tran at theochem.tuwien.ac.at
- [Wien] Elastic constant calculation for tetragonal system
Muhammad Sajjad
- [Wien] libbls.so.3 Error in running Boltztrap code
saurabh singh
- [Wien] libbls.so.3 Error in running Boltztrap code
Pavel Ondračka
- [Wien] Elastic constant calculation for tetragonal system
Tomas Kana
- [Wien] Elastic constant calculation for tetragonal system
Muhammad Sajjad
- [Wien] Elastic constant calculation for tetragonal system
Muhammad Sajjad
- [Wien] Molecular dynamics using Wien2k
Gavin Abo
- [Wien] Molecular dynamics using Wien2k
Laurence Marks
- [Wien] Molecular dynamics using Wien2k
Peter Blaha
- [Wien] Spaghetti_ene
Adam Bakheet
- [Wien] Forces and SO
Fecher, Gerhard
- [Wien] Forces and SO
Peter Blaha
- [Wien] Spaghetti_ene
Elias Assmann
- [Wien] RE : Spaghetti_ene
kadda AMARA
- [Wien] Density matrix and DOS plot
SOHAN LAL
- [Wien] MBJ, case.in0_grr
shima pourrad
- [Wien] MBJ, case.in0_grr
tran at theochem.tuwien.ac.at
- [Wien] ELASTIC CONSTANTS OF CUBIC COMPOUND
Nazia Erum
- [Wien] ELASTIC CONSTANTS OF CUBIC COMPOUND
Muhammad Sajjad
- [Wien] Space Group 12 C2/m
delamora
- [Wien] MBJ, case.in0_grr
shima pourrad
- [Wien] Molecular dynamics using Wien2k
Guo-ping Zhang
- [Wien] Spaghetti_ene
Adam Bakheet
- [Wien] case.qtlup/dn files were empty
venkatesh chandragiri
- [Wien] HF eqivalent to HSEsol
kadda AMARA
- [Wien] HF eqivalent to HSEsol
tran at theochem.tuwien.ac.at
- [Wien] HF eqivalent to HSEsol
kadda AMARA
- [Wien] case.qtlup/dn files were empty
Elias Assmann
- [Wien] wien2k workshop 2016
Peter Blaha
- [Wien] Formula full-potential
tran at theochem.tuwien.ac.at
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
tran at theochem.tuwien.ac.at
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Michael Sluydts
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Peter Blaha
- [Wien] Graphene bandstructure
Hajar Nejati
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Error in initialization stage
Hu, Wenhao
- [Wien] Graphene bandstructure
Peter Blaha
- [Wien] Error in initialization stage
Peter Blaha
- [Wien] Magnetostriction
Tarek Hammad
- [Wien] (no subject)
said chibani
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] (no subject)
Tomas Kana
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Xavier Rocquefelte
- [Wien] Graphene bandstructure
Peter Blaha
- [Wien] Graphene bandstructure
Laurence Marks
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] Graphene bandstructure
Islam, Md F
- [Wien] (no subject)
said chibani
- [Wien] (no subject)
Gavin Abo
- [Wien] relaxation of atomic positions with the full hybrid functionals
kadda AMARA
- [Wien] (no subject)
said chibani
- [Wien] relaxation of atomic positions with the full hybrid functionals
delamora
- [Wien] relaxation of atomic positions with the full hybrid functionals
kadda AMARA
- [Wien] relaxation of atomic positions with the full hybrid functionals
delamora
- [Wien] (no subject)
Gavin Abo
- [Wien] lattice change mBJ+SO
emami seyyed amir abbas
- [Wien] difference between Wien2k tar file and wien2k executable file
Dr. K. C. Bhamu
- [Wien] relaxation of atomic positions with the full hybrid functionals
tran at theochem.tuwien.ac.at
- [Wien] lattice change mBJ+SO
tran at theochem.tuwien.ac.at
- [Wien] relaxation of atomic positions with the full hybrid functionals
delamora
- [Wien] Case.in1
Tarek Hammad
- [Wien] Case.in1
tran at theochem.tuwien.ac.at
- [Wien] Case.in1
Tarek Hammad
- [Wien] uplapw1.error for SO
Tarek Hammad
- [Wien] difference between Wien2k tar file and wien2k executable file
Gavin Abo
- [Wien] uplapw1.error for SO
Gavin Abo
- [Wien] In1.file
Tarek Hammad
- [Wien] In1.file
Gavin Abo
- [Wien] difference between Wien2k tar file and wien2k executable file
Dr. K. C. Bhamu
- [Wien] case.inso
Tarek Hammad
- [Wien] case.inso
delamora
- [Wien] difference between Wien2k tar file and wien2k executable file
Gavin Abo
- [Wien] case.inso
Tarek Hammad
- [Wien] case.inso
delamora
- [Wien] case.inso
Gavin Abo
- [Wien] A basic question on QTL-B
Hu, Wenhao
- [Wien] Values magnetic field
Tuan Vu
- [Wien] Regarding doping
mandeep hooda
- [Wien] Regarding doping
delamora
- [Wien] Regarding the "configure_init_lapw"....!
Mian Fayyaz Ahmad
- [Wien] A basic question on QTL-B
Peter Blaha
- [Wien] gap problem in GGA+ U calculation of AFM NiO
Soumen Bag
- [Wien] gap problem in GGA+ U calculation of AFM NiO
Peter Blaha
- [Wien] A basic question on QTL-B
Hu, Wenhao
- [Wien] Formula full-potential
Tuan Vu
- [Wien] Formula full-potential
delamora
- [Wien] Formula full-potential
delamora
- [Wien] Formula full-potential
Laurence Marks
- [Wien] gap problem in GGA+ U calculation of AFM NiO
Soumen Bag
- [Wien] ordered or disordered alloy
Sahra Sahraii
- [Wien] ordered or disordered alloy
Laurence Marks
- [Wien] ghost band error with mbj potential
shamik chakrabarti
- [Wien] ghost band error with mbj potential
Laurence Marks
- [Wien] (no subject)
mandeep hooda
- [Wien] (no subject)
Dr. K. C. Bhamu
Last message date:
Thu Dec 31 20:49:36 CET 2015
Archived on: Thu Dec 31 20:50:03 CET 2015
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