July 2017 Archives by date
Starting: Sat Jul 1 08:20:20 CEST 2017
Ending: Mon Jul 31 14:28:40 CEST 2017
Messages: 203
- [Wien] -quota option
Wien2k User
- [Wien] -quota option
Gavin Abo
- [Wien] error in vorb
Gavin Abo
- [Wien] A quiry on TBmBJ+EECE calculations.
Osama Yassin
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Osama Yassin
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Osama Yassin
- [Wien] error in vorb
shamik chakrabarti
- [Wien] A quiry on TBmBJ+EECE calculations.
tran at theochem.tuwien.ac.at
- [Wien] A quiry on TBmBJ+EECE calculations.
Gavin Abo
- [Wien] error in vorb
Gavin Abo
- [Wien] A quiry on TBmBJ+EECE calculations.
Osama Yassin
- [Wien] A quiry on TBmBJ+EECE calculations.
Osama Yassin
- [Wien] A quiry on TBmBJ+EECE calculations.
Osama Yassin
- [Wien] A quiry on TBmBJ+EECE calculations.
tran at theochem.tuwien.ac.at
- [Wien] Any additional phase factor for the complex spherical harmonics used on wien2k
Yongxin Yao
- [Wien] Fwd: Re: error in vorb
Gavin Abo
- [Wien] runsp_lapw -eece error
Gavin Abo
- [Wien] Any additional phase factor for the complex spherical harmonics used on wien2k
Peter Blaha
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Peter Blaha
- [Wien] Fwd: Re: error in vorb
shamik chakrabarti
- [Wien] runsp_lapw -eece error
Peter Blaha
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Osama Yassin
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Peter Blaha
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Osama Yassin
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Peter Blaha
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Osama Yassin
- [Wien] Fw: The dielectric constant from spin polarirzed calculations has doubled values than that of the non-sp
Peter Blaha
- [Wien] Comparison of total energy from mBJ calculations
shivaprasad shastri
- [Wien] Comparison of total energy from mBJ calculations
tran at theochem.tuwien.ac.at
- [Wien] Comparison of total energy from mBJ calculations
Peter Blaha
- [Wien] wien2k 17.1
Peter Blaha
- [Wien] wien2k 17.1
Dr. K. C. Bhamu
- [Wien] wien2k 17.1
Peter Blaha
- [Wien] wien2k 17.1
Gavin Abo
- [Wien] Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] wien2k 17.1
Peter Blaha
- [Wien] wien2k 17.1
Dr. K. C. Bhamu
- [Wien] wien2k 17.1
Gavin Abo
- [Wien] Fwd: Re: error in vorb
shamik chakrabarti
- [Wien] Regarding PBE Calculation of Al2O3
apande at iitk.ac.in
- [Wien] Regarding PBE Calculation of Al2O3
Peter Blaha
- [Wien] Fwd: Re: error in vorb
Laurence Marks
- [Wien] Optical property calculation when spin orbit added
Karel Vyborny
- [Wien] Error information during installation of WIEN2k_16.1 on CentOs7
刘 洋
- [Wien] error in vorb continues...
shamik chakrabarti
- [Wien] error in vorb continues...
Fecher, Gerhard
- [Wien] 答复: error in vorb continues...
刘 洋
- [Wien] 答复: error in vorb continues...
shamik chakrabarti
- [Wien] 答复: error in vorb continues...
Fecher, Gerhard
- [Wien] 答复: 答复: error in vorb continues...
刘 洋
- [Wien] 答复: 答复: error in vorb continues...
Fecher, Gerhard
- [Wien] Error information during installation of WIEN2k_16.1 on CentOs7
Fecher, Gerhard
- [Wien] Error information during installation of WIEN2k_16.1 on CentOs7
Fecher, Gerhard
- [Wien] 答复: Error information during installation of WIEN2k_16.1 on CentOs7
刘 洋
- [Wien] 答复: Error information during installation of WIEN2k_16.1 on CentOs7
Fecher, Gerhard
- [Wien] On the usage of constant V-matrix
Osama Yassin
- [Wien] 答复: 答复: error in vorb continues...
shamik chakrabarti
- [Wien] error in vorb continues...
Fecher, Gerhard
- [Wien] error in vorb continues...
shamik chakrabarti
- [Wien] Problem with clmextrapol_lapw / clmaddsub in spin polarized SO cases
Fecher, Gerhard
- [Wien] error in vorb continues...
Gavin Abo
- [Wien] error in vorb continues...
Fecher, Gerhard
- [Wien] Fw: Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] PhD position in G. Madsens group at the TU Vienna
Peter Blaha
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] Fw: Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] behavior of Seebeck coefficient near mue-Ef
fatima DFT
- [Wien] Question about "open core" treatment
Peng Bingrui
- [Wien] Question about "open core" treatment
Peter Blaha
- [Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task
Peng Bingrui
- [Wien] Fw: Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] Fw: Optical property calculation when spin orbit added
Dr. K. C. Bhamu
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] Fw: Optical property calculation when spin orbit added
Dr. K. C. Bhamu
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] probelem with x lapw -band -p with w2web
Wien2k User
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Peng Bingrui
- [Wien] probelem with x lapw -band -p with w2web
Peter Blaha
- [Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task
pieper
- [Wien] minor problems in 17.1 with w2web and siteconfig_lapw
pieper
- [Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task
Gavin Abo
- [Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task
Peter Blaha
- [Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task
Fecher, Gerhard
- [Wien] irrep has a problem with SO of ferromagnetic materials: X not equal for all elements in the class
Fecher, Gerhard
- [Wien] Charge convergence
Luis Ogando
- [Wien] Charge convergence
Laurence Marks
- [Wien] Questions about imposing external magnetic field on no-magnetic system
pieper
- [Wien] Charge convergence
Luis Ogando
- [Wien] Charge convergence
Laurence Marks
- [Wien] Charge convergence
Luis Ogando
- [Wien] Charge convergence
Laurence Marks
- [Wien] Charge convergence
Peter Blaha
- [Wien] A confirmation is needed about mbj+so
fatima DFT
- [Wien] A confirmation is needed about mbj+so
tran at theochem.tuwien.ac.at
- [Wien] Charge convergence
Lyudmila Dobysheva
- [Wien] A confirmation is needed about mbj+so
fatima DFT
- [Wien] A confirmation is needed about mbj+so
tran at theochem.tuwien.ac.at
- [Wien] Charge convergence
Luis Ogando
- [Wien] Fw: Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] Fw: Optical property calculation when spin orbit added
shaymlal dayananda
- [Wien] mixed phase of structure in Wien2k
Dr. K. C. Bhamu
- [Wien] Fw: Optical property calculation when spin orbit added
Gavin Abo
- [Wien] question
Dj Fati
- [Wien] mixed phase of structure in Wien2k
Dr. K. C. Bhamu
- [Wien] (no subject)
ali ali
- [Wien] question
pieper
- [Wien] question
Gavin Abo
- [Wien] (no subject)
Gavin Abo
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Peng Bingrui
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Karel Vyborny
- [Wien] The number of bands is less than what I want
Peng Bingrui
- [Wien] The number of bands is less than what I want
Xavier Rocquefelte
- [Wien] The number of bands is less than what I want
Gavin Abo
- [Wien] (no subject)
Oleg Rubel
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Gavin Abo
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Karel Vyborny
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Peter Blaha
- [Wien] mixed phase of structure in Wien2k
Lyudmila Dobysheva
- [Wien] symmetry problem for spontaneous polarization
Jameela Fatheema
- [Wien] symmetry problem for spontaneous polarization
Fecher, Gerhard
- [Wien] symmetry problem for spontaneous polarization
Jameela Fatheema
- [Wien] Correct band indexing in Wien2k?
Dara Goldar
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Wien2k User
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Fecher, Gerhard
- [Wien] Correct band indexing in Wien2k?
tran at theochem.tuwien.ac.at
- [Wien] Correct band indexing in Wien2k?
Lyudmila Dobysheva
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Wien2k User
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Stefaan Cottenier
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Wien2k User
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
karima Physique
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Fecher, Gerhard
- [Wien] Spin part of the magnetic susceptibility
Wien2k User
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
Wien2k User
- [Wien] IRREP and SYMMETSO with ferromagnetic materials
Fecher, Gerhard
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
pieper
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
karima Physique
- [Wien] broblem with -orb
AL RAHAL AL ORABI, Rabih
- [Wien] broblem with -orb
delamora
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Karel Vyborny
- [Wien] BoltzTraP transport properties
Lagoun brahim
- [Wien] BoltzTraP transport properties
karima Physique
- [Wien] BoltzTraP transport properties
Lagoun brahim
- [Wien] BoltzTraP transport properties
Gavin Abo
- [Wien] BoltzTraP transport properties
Lagoun brahim
- [Wien] Spin part of the magnetic susceptibility
Wien2k User
- [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor
pieper
- [Wien] Spin part of the magnetic susceptibility
pieper
- [Wien] Spin part of the magnetic susceptibility
Wien2k User
- [Wien] PBE vs mBJ
Marcelo Barbosa
- [Wien] PBE vs mBJ
tran at theochem.tuwien.ac.at
- [Wien] PBE vs mBJ
Marcelo Barbosa
- [Wien] Inconsistency between case.inwf and case.win
Peng Bingrui
- [Wien] Wien2k v 17.1 bandstructure calculation
Dürrschnabel, Michael
- [Wien] Wien2k v 17.1 bandstructure calculation
karima Physique
- [Wien] Wien2k v 17.1 bandstructure calculation
Dürrschnabel, Michael
- [Wien] Inconsistency between case.inwf and case.win
Gavin Abo
- [Wien] Looking for volunteers to test mixer 9.3 "Mango"
Laurence Marks
- [Wien] Inconsistency between case.inwf and case.win
Rubel, Oleg
- [Wien] (no subject)
rahmani rabea
- [Wien] (no subject)
Nacir GUECHI
- [Wien] experimental vs relaxed parameters using wien2k
Chouaib AHMANI FERDI
- [Wien] experimental vs relaxed parameters using wien2k
tran at theochem.tuwien.ac.at
- [Wien] experimental vs relaxed parameters using wien2k
Fecher, Gerhard
- [Wien] kgen -so and case.klist_band
fatima DFT
- [Wien] experimental vs relaxed parameters using wien2k
Chouaib AHMANI FERDI
- [Wien] experimental vs relaxed parameters using wien2k
Laurence Marks
- [Wien] experimental vs relaxed parameters using wien2k
Fecher, Gerhard
- [Wien] vectorized math functions with GCC (to speedup lapw1)
Pavel Ondračka
- [Wien] experimental vs relaxed parameters using wien2k
Tristan de Boer
- [Wien] Limit of RmtKmax
Arena Konta
- [Wien] Limit of RmtKmax
tran at theochem.tuwien.ac.at
- [Wien] XPS core binding energy
Alexey Kartsev
- [Wien] XPS core binding energy
Peter Blaha
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Fecher, Gerhard
- [Wien] experimental vs relaxed parameters using wien2k
Fecher, Gerhard
- [Wien] Limit of RmtKmax
Peter Blaha
- [Wien] kgen -so and case.klist_band
fatima DFT
- [Wien] A tiny question about the direction of external magnetic field in case.inorb
Peng Bingrui
- [Wien] A tiny question about the direction of external magnetic field in case.inorb
delamora
- [Wien] energy limit problems
Yoji Kobayashi
- [Wien] Some Queries about Polarization and Strain
Jameela Fatheema
- [Wien] energy limit problems
Fecher, Gerhard
- [Wien] energy limit problems
Peter Blaha
- [Wien] kgen -so and case.klist_band
Peter Blaha
- [Wien] kgen -so and case.klist_band
Fecher, Gerhard
- [Wien] experimental vs relaxed parameters using wien2k
Chouaib AHMANI FERDI
- [Wien] kgen -so and case.klist_band
Md. Fhokrul Islam
- [Wien] Questions about imposing external magnetic field on no-magnetic system
Karel Vyborny
- [Wien] Some Queries about Polarization and Strain
Rubel, Oleg
- [Wien] Some Queries about Polarization and Strain
Jameela Fatheema
- [Wien] problem in DOS
shaymlal dayananda
- [Wien] PBE vs mBJ
fatima DFT
- [Wien] problem in DOS
Gavin Abo
- [Wien] Error - Fermi level was not found for doping
chin Sabsu
- [Wien] Error - Fermi level was not found for doping
Gavin Abo
- [Wien] PBE vs mBJ
Fecher, Gerhard
- [Wien] Error - Fermi level was not found for doping
chin Sabsu
- [Wien] Error - Fermi level was not found for doping
chin Sabsu
- [Wien] experimental vs relaxed parameters using wien2k
Fecher, Gerhard
- [Wien] energy limit problems
Yoji Kobayashi
Last message date:
Mon Jul 31 14:28:40 CEST 2017
Archived on: Mon Jul 31 14:28:57 CEST 2017
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