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Re: [Wien] IRelast error in C_ana_elast_lapw
reyhaneh ebrahimi
Re: [Wien] IRelast error in C_ana_elast_lapw
Laurence Marks
Re: [Wien] IRelast error in C_ana_elast_lapw
AJAY SINGH VERMA
Re: [Wien] IRelast error in C_ana_elast_lapw
Laurence Marks
Re: [Wien] IRelast error in C_ana_elast_lapw
Morteza Jamal via Wien
Re: [Wien] IRelast error in C_ana_elast_lapw
Morteza Jamal via Wien
[Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
Xudong Huai
Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
fabien . tran
Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
Xudong Huai
[Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
Re: [Wien] Error while running IRelast - calljob_lapw
Laurence Marks
Re: [Wien] Error while running IRelast - calljob_lapw
Laurence Marks
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
[Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
AJAY SINGH VERMA
Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
Gavin Abo
Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
Gavin Abo
[Wien] Optics with Custom K-mesh
Polatkan, Sascha
Re: [Wien] Optics with Custom K-mesh
Peter Blaha
[Wien] Error in IRelast
Peeyush Kumar Kamlesh
Re: [Wien] Error in IRelast
Gavin Abo
Re: [Wien] Error in IRelast
Laurence Marks
Re: [Wien] Error in IRelast
Peeyush Kumar Kamlesh
Re: [Wien] Error in IRelast
Gavin Abo
Re: [Wien] Error in IRelast
morteza jamal via Wien
[Wien] Lapw1_mpi
sherif Yehia
Re: [Wien] Lapw1_mpi
Peter Blaha
Re: [Wien] Lapw1_mpi
Peter Blaha
[Wien] calculation of electron-phonon coupling constant
zhouchao via Wien
Re: [Wien] calculation of electron-phonon coupling constant
Peter Blaha
Re: [Wien] calculation of electron-phonon coupling constant
Mathew Peet
Re: [Wien] calculation of electron-phonon coupling constant
Laurence Marks
Re: [Wien] calculation of electron-phonon coupling constant
Peter Blaha
[Wien] ??????calculation of electron-phonon coupling constant
zhouchao via Wien
[Wien] connection with w2web
zhouchao via Wien
Re: [Wien] connection with w2web
delamora
Re: [Wien] connection with w2web
zhouchao via Wien
Re: [Wien] connection with w2web
zhouchao via Wien
[Wien] Whether magnetic moment per atom can be trusted in mbj
shamik chakrabarti
Re: [Wien] Whether magnetic moment per atom can be trusted in mbj
shamik chakrabarti
[Wien] Whether magnetic moment per atom can be trusted in mbj
shamik chakrabarti
Re: [Wien] Whether magnetic moment per atom can be trusted in mbj
fabien . tran
[Wien] Effect of TEMP on optimized structure
shamik chakrabarti
Re: [Wien] Effect of TEMP on optimized structure
Laurence Marks
Re: [Wien] Effect of TEMP on optimized structure
shamik chakrabarti
[Wien] Query regarding same structure with different symmetry
shamik chakrabarti
Re: [Wien] Query regarding same structure with different symmetry
Gavin Abo
Re: [Wien] Query regarding same structure with different symmetry
shamik chakrabarti
Re: [Wien] Query regarding same structure with different symmetry
shamik chakrabarti
Re: [Wien] Query regarding same structure with different symmetry
Gavin Abo
Re: [Wien] Query regarding same structure with different symmetry
shamik chakrabarti
[Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Victor Zenou
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Laurence Marks
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Gavin Abo
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Gavin Abo
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Gavin Abo
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Victor Zenou
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Gavin Abo
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Victor Zenou
Re: [Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS
Gavin Abo
[Wien] Problem in elastic properties
upasana chauhan
Re: [Wien] Problem in elastic properties
Gavin Abo
[Wien] Procedure-IRelast
morteza jamal via Wien
[Wien] how to change user name & password for w2web gui
shamik chakrabarti
Re: [Wien] how to change user name & password for w2web gui
shamik chakrabarti
Re: [Wien] how to change user name & password for w2web gui
Shahid Mahmood Chaudhry
Re: [Wien] how to change user name & password for w2web gui
Gavin Abo
Re: [Wien] how to change user name & password for w2web gui
shamik chakrabarti
[Wien] init_phonon_lapw, strange behaviour
Fecher, Gerhard
Re: [Wien] init_phonon_lapw, strange behaviour
Peter Blaha
Re: [Wien] how to change user name & password for w2web gui
Fecher, Gerhard
[Wien] dipan.f
Lee, Yongbin [A LAB]
Re: [Wien] dipan.f
Peter Blaha
[Wien] Mixing for dummies
Peter Blaha
[Wien] Incorrect space group symbol
shamik chakrabarti
Re: [Wien] Incorrect space group symbol
Gavin Abo
Re: [Wien] Incorrect space group symbol
shamik chakrabarti
[Wien] lapwso error
魏诗如
Re: [Wien] lapwso error
Peter Blaha
[Wien] Wien2k with oneAPI on Mac OSX (Monterey)
Zhu, Jianxin via Wien
Re: [Wien] Wien2k with oneAPI on Mac OSX (Monterey)
Laurence Marks
Re: [Wien] [EXTERNAL] Re: Wien2k with oneAPI on Mac OSX (Monterey)
Zhu, Jianxin via Wien
Re: [Wien] [EXTERNAL] Re: Wien2k with oneAPI on Mac OSX (Monterey)
Gavin Abo
[Wien] Symmetry adapted wanniers using wien to wannier interface
Banhi Chatterjee
Re: [Wien] Symmetry adapted wanniers using wien to wannier interface
Rubel, Oleg
[Wien] RV: Bi almost cubic
delamora
Re: [Wien] Bi almost cubic
Fecher, Gerhard
Re: [Wien] Bi almost cubic
delamora
Re: [Wien] Bi almost cubic
delamora
Re: [Wien] Bi almost cubic
Fecher, Gerhard
[Wien] Bi almost cubic
delamora
Re: [Wien] Bi almost cubic
Fecher, Gerhard
Re: [Wien] Bi almost cubic
Peter Blaha
Re: [Wien] Bi almost cubic
Fecher, Gerhard
Re: [Wien] Bi almost cubic
Peter Blaha
Re: [Wien] Bi almost cubic
Fecher, Gerhard
Re: [Wien] Bi almost cubic
delamora
[Wien] Ab inition and DFT
ben amara imen
Re: [Wien] Ab inition and DFT
Gavin Abo
Re: [Wien] Ab inition and DFT
Fecher, Gerhard
Re: [Wien] Ab inition and DFT
pboulet via Wien
[Wien] Temperature
Brik Hamida
Re: [Wien] Temperature
Laurence Marks
Re: [Wien] Temperature
Fecher, Gerhard
[Wien] Temperature
Brik Hamida
Re: [Wien] Temperature
Laurence Marks
Re: [Wien] Temperature
Algerian Researcher
Re: [Wien] Temperature
Fecher, Gerhard
[Wien] A basic question regarding atomic coordinates optimization
shamik chakrabarti
Re: [Wien] A basic question regarding atomic coordinates optimization
Laurence Marks
Re: [Wien] A basic question regarding atomic coordinates optimization
shamik chakrabarti
Re: [Wien] A basic question regarding atomic coordinates optimization
Gavin Abo
Re: [Wien] A basic question regarding atomic coordinates optimization
Laurence Marks
Re: [Wien] A basic question regarding atomic coordinates optimization
Laurence Marks
Re: [Wien] A basic question regarding atomic coordinates optimization
shamik chakrabarti
[Wien] compiling errors of lapw1_mpi
sherif Yehia
Re: [Wien] compiling errors of lapw1_mpi
Laurence Marks
Re: [Wien] compiling errors of lapw1_mpi
Laurence Marks
Re: [Wien] compiling errors of lapw1_mpi
sherif Yehia
[Wien] Are MGGA potentials implimented in Libxc (for Wien2k)?
Laurence Marks
Re: [Wien] Are MGGA potentials implimented in Libxc (for Wien2k)?
fabien . tran
Re: [Wien] Are MGGA potentials implimented in Libxc (for Wien2k)?
Laurence Marks
Re: [Wien] Are MGGA potentials implimented in Libxc (for Wien2k)?
fabien . tran
[Wien] IRelast-package
Morteza Jamal via Wien
Re: [Wien] IRelast-package
Peter Blaha
Re: [Wien] IRelast-package
Morteza Jamal via Wien
[Wien] L2main - QTL-B Error
Peeyush Kumar Kamlesh
Re: [Wien] L2main - QTL-B Error
Gavin Abo
Re: [Wien] L2main - QTL-B Error
長谷泉
Re: [Wien] L2main - QTL-B Error
Fecher, Gerhard
[Wien] MMINT
shahrbano rahimi
Re: [Wien] MMINT
Laurence Marks
Re: [Wien] MMINT
fabien . tran
Re: [Wien] MMINT
shahrbano rahimi
Re: [Wien] MMINT
Peter Blaha
Re: [Wien] MMINT
Fecher, Gerhard
Re: [Wien] MMINT
shahrbano rahimi
[Wien] MMINT
reyhaneh ebrahimi
Re: [Wien] MMINT
fabien . tran
Re: [Wien] MMINT
Laurence Marks
Re: [Wien] MMINT
Fecher, Gerhard
Re: [Wien] MMINT
reyhaneh ebrahimi
Re: [Wien] MMINT
Laurence Marks
Re: [Wien] MMINT
reyhaneh ebrahimi
Re: [Wien] MMINT
Laurence Marks
Re: [Wien] MMINT
Peter Blaha
Re: [Wien] MMINT
Fecher, Gerhard
Re: [Wien] MMINT
Laurence Marks
[Wien] Need help in knowing the way for controlling the strength of SOC in calculations.
VIVEK PANDEY
Re: [Wien] Need help in knowing the way for controlling the strength of SOC in calculations.
Peter Blaha
[Wien] Structure optimization with TEMP
shamik chakrabarti
Re: [Wien] Structure optimization with TEMP
fabien . tran
Re: [Wien] Structure optimization with TEMP
shamik chakrabarti
Re: [Wien] Structure optimization with TEMP
fabien . tran
Re: [Wien] Structure optimization with TEMP
shamik chakrabarti
Re: [Wien] Structure optimization with TEMP
shamik chakrabarti
[Wien] How to calculate AHC in wien2k?
Samir Rom
Re: [Wien] How to calculate AHC in wien2k?
Rubel, Oleg
Re: [Wien] How to calculate AHC in wien2k?
Samir Rom
Re: [Wien] How to calculate AHC in wien2k?
Rubel, Oleg
[Wien] A question for the direction of spin dipolar term in knight shift calculations
王郁欣
Re: [Wien] A question for the direction of spin dipolar term in knight shift calculations
Peter Blaha
[Wien] DIS & ENE for 72 iterations (without getting convergence)
shamik chakrabarti
[Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
fabien . tran
Re: [Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
fabien . tran
Re: [Wien] Query regarding clean_lapw
Peter Blaha
Re: [Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
fabien . tran
Re: [Wien] Query regarding clean_lapw
shamik chakrabarti
Re: [Wien] Query regarding clean_lapw
fabien . tran
[Wien] oneAPI minimal software requirements
delamora
Re: [Wien] oneAPI minimal software requirements
Laurence Marks
Re: [Wien] oneAPI minimal software requirements
delamora
[Wien] problems with parallel version of run_bandplothf_lapw
Mikhail Nestoklon via Wien
Re: [Wien] problems with parallel version of run_bandplothf_lapw
Peter Blaha
Re: [Wien] problems with parallel version of run_bandplothf_lapw
Gavin Abo
Re: [Wien] problems with parallel version of run_bandplothf_lapw
Lyudmila Dobysheva via Wien
Re: [Wien] problems with parallel version of run_bandplothf_lapw
Mikhail Nestoklon via Wien
Re: [Wien] problems with parallel version of run_bandplothf_lapw
Lyudmila Dobysheva via Wien
[Wien] Error while calculating elastic constant using IRelast
413119008
Re: [Wien] Error while calculating elastic constant using IRelast
Lyudmila Dobysheva via Wien
Re: [Wien] Error while calculating elastic constant using IRelast
Hamza Bouafia
[Wien] Error while calculating elastic constant using IRelast
413119008
Re: [Wien] Error while calculating elastic constant using IRelast
Gavin Abo
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