August 2019 Archives by author

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Starting: Sun Aug 4 10:44:41 CEST 2019
Ending: Fri Aug 30 19:33:49 CEST 2019
Messages: 75

[QE-users] Software and Tutorials Input for Surface Calculation "김승철"
[QE-users] vc-relax for getting polymer bond lengths gives error in overlap matrix MARIA CATERINA CEVALLOS BRENES
[QE-users] vc-relax for getting polymer bond lengths gives error in overlap matrix MARIA CATERINA CEVALLOS BRENES
[QE-users] vc-relax for getting polymer bond lengths gives error in overlap matrix MARIA CATERINA CEVALLOS BRENES
[QE-users] vc-relax with Hybrid functionals MARIA CATERINA CEVALLOS BRENES
[QE-users] Band gaps from SCF vs NSCF calculations MARIA CATERINA CEVALLOS BRENES
[QE-users] ENVIRON in QE-6.2.1 Sayan Banerjee
[QE-users] ENVIRON in QE Sayan Banerjee
[QE-users] ENVIRON in QE Sayan Banerjee
[QE-users] SIGSEGV, segmentation fault occurred for ENVIRON patch Sayan Banerjee
[QE-users] how to do parallelization for a gamma centered calculation Dr. K. C. Bhamu
[QE-users] Error in routine write_rhog (1): error opening file ./tmp/pwscf.save/charge-density Dr. K. C. Bhamu
[QE-users] Error in routine write_rhog (1): error opening file ./tmp/pwscf.save/charge-density Dr. K. C. Bhamu
[QE-users] dexx is negative with QE_6.4.1 Dr. K. C. Bhamu
[QE-users] dexx is negative with QE_6.4.1 Dr. K. C. Bhamu
[QE-users] missing f orbital - Sm atom reg Thomas Brumme
[QE-users] Looking for systems that are difficult to converge with SCF Thomas Brumme
[QE-users] Magnetic Field Anuja Chanana
[QE-users] bands.x publications Andrey Chibisov
[QE-users] Can not converge for W element LEUNG Clarence
[QE-users] LDA+U+V functional in PWSCF Matteo Cococcioni
[QE-users] Installation error With iFort QE v6.4.1 on macOS Will DeBenedetti
[QE-users] Installation error With iFort QE v6.4.1 on macOS Will DeBenedetti
[QE-users] Software and Tutorials Input for Surface Calculation Will DeBenedetti
[QE-users] issue installing qe-6.4.1 in Mac OS, "/lib/cpp fails sanity check" Seyed Mohammad Farzaneh
[QE-users] SIGSEGV, segmentation fault occurred for ENVIRON patch Nattino Francesco
[QE-users] How much effect of el_ph_sigma and el_ph_nsigma flags on the critical temperature Tc? Zhibin Gao
[QE-users] not converge with BLYP-D3 Sabike Ghasemi
[QE-users] LDA+U+V functional in PWSCF Paolo Giannozzi
[QE-users] vc-relax for getting polymer bond lengths gives error in overlap matrix Paolo Giannozzi
[QE-users] extract spinor wave-functions Paolo Giannozzi
[QE-users] reading and writing of the binary wfc files Paolo Giannozzi
[QE-users] Unable to calculate correct Point group and Character Table Paolo Giannozzi
[QE-users] Software and Tutorials Input for Surface Calculation Sebastian Gsänger
[QE-users] extract spinor wave-functions Suguru Ito
[QE-users] extract spinor wave-functions Suguru Ito
[QE-users] convergence issue David Kostov
[QE-users] convergence issue David Kostov
[QE-users] Which pseudopotentials are supported by Car-Parrinello Molecular Dynamics in QE Jibiao Li
[QE-users] Initializing triplet state from OCCUPATIONS = input Nicola Marzari
[QE-users] Initializing triplet state from OCCUPATIONS = input Nicola Marzari
[QE-users] Magnetic Field Nicola Marzari
[QE-users] Band gaps from SCF vs NSCF calculations Nicola Marzari
[QE-users] Best way to batch process xsf files Matic
[QE-users] Initializing triplet state from OCCUPATIONS = input Giuseppe Mattioli
[QE-users] Best way to batch process xsf files Felix Mayr
[QE-users] Looking for systems that are difficult to converge with SCF John McFarland
[QE-users] Software and Tutorials Input for Surface Calculation Oleksandr Motornyi
[QE-users] ENVIRON in QE Francesco Nattino
[QE-users] Which pseudopotentials are supported by Car-Parrinello Molecular Dynamics in QE Marzari Nicola
[QE-users] Error in routine write_rhog (1): error opening file ./tmp/pwscf.save/charge-density Lorenzo Paulatto
[QE-users] Software and Tutorials Input for Surface Calculation Rajesh Raju
[QE-users] Energy level differences from TDDFT Rao,Rishi
[QE-users] Unable to calculate correct Point group and Character Table Ankit Sharma
[QE-users] Initializing triplet state from OCCUPATIONS = input Brendan Smith
[QE-users] Initializing triplet state from OCCUPATIONS = input Brendan Smith
[QE-users] Wrong niter_max error ! in running hp.x of QE-6.4.1 Soumyadeep
[QE-users] Error in running bands.x of QE-6.4.1: Error in routine smallgk (1) Not a group Soumyadeep
[QE-users] electron-phonon calculations error Bharat Thapa
[QE-users] missing f orbital - Sm atom reg Muthu V
[QE-users] missing f orbital - Sm atom reg Muthu V
[QE-users] Tuning amount of exchange/correlation Zack Windom
[QE-users] LDA+U+V functional in PWSCF Christoph Wolf
[QE-users] LDA+U+V functional in PWSC Christoph Wolf
[QE-users] Best way to batch process xsf files Christoph Wolf
[QE-users] reading and writing of the binary wfc files Christoph Wolf
[QE-users] reading and writing of the binary wfc files Christoph Wolf
[QE-users] GIPAW with spin-spin interaction Christoph Wolf
[QE-users] Strange problem with graphene phonons: convergence makes things worse Christoph Wolf
[QE-users] Dear EPW team Christoph Wolf
[QE-users] Magnetic Field Christoph Wolf
[QE-users] Magnetic Field Christoph Wolf
[QE-users] Software and Tutorials Input for Surface Calculation dv009200 at fh-muenster.de
[QE-users] Dear EPW team 洪爱俊
[QE-users] How to restart band calculation.. 문태환

Last message date: Fri Aug 30 19:33:49 CEST 2019
Archived on: Fri Aug 30 19:35:07 CEST 2019

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