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• 2022/12/09 Re: [QE-users] DFT+U - error when using the pseudopotential projectors Paolo Giannozzi
• 2022/12/09 [QE-users] Run error of input_dft with libxc 4.3.4 Jibiao Li
• 2022/12/08 Re: [QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
• 2022/12/08 Re: [QE-users] 回复： error in raman spectrum calculation with SOC Lorenzo Paulatto
• 2022/12/08 [QE-users] ?????? error in raman spectrum calculation with SOC V Sanger via users
• 2022/12/08 Re: [QE-users] error in raman spectrum calculation with SOC Lorenzo Paulatto
• 2022/12/08 [QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
• 2022/12/08 [QE-users] error in raman spectrum calculation with SOC V Sanger via users
• 2022/12/08 Re: [QE-users] hp.x root not converged for LiNiO2 Iurii TIMROV via users
• 2022/12/08 [QE-users] hp.x root not converged for LiNiO2 Börries von Seggern
• 2022/12/08 Re: [QE-users] Installation error of QE 7.1 with oneAPI Paolo Giannozzi
• 2022/12/08 [QE-users] problem in raman spectrum calculation with SOC V Sanger via users
• 2022/12/08 [QE-users] Installation error of QE 7.1 with oneAPI Jibiao Li
• 2022/12/07 Re: [QE-users] DFT+U - error when using the pseudopotential projectors Iurii TIMROV via users
• 2022/12/07 [QE-users] DFT+U - error when using the pseudopotential projectors Thomas Brumme
• 2022/12/06 Re: [QE-users] [QE-GPU] GTX 1650 Fabrizio Ferrari Ruffino
• 2022/12/06 Re: [QE-users] Hubbard_occ() Iurii TIMROV via users
• 2022/12/06 Re: [QE-users] Hubbard_occ() Mahmoud Payami Shabestari via users
• 2022/12/06 Re: [QE-users] [QE-GPU] GTX 1650 MARRAZZO ANTIMO
• 2022/12/06 Re: [QE-users] [QE-GPU] GTX 1650 Fabrizio Ferrari Ruffino
• 2022/12/06 Re: [QE-users] Error -Intel Compiler- ubuntu 22.04 Paolo Giannozzi
• 2022/12/05 [QE-users] Error -Intel Compiler- ubuntu 22.04 kh_f_69 via users
• 2022/12/05 Re: [QE-users] Hubbard_occ() Mahmoud Payami Shabestari via users
• 2022/12/05 Re: [QE-users] Hubbard_occ() Iurii TIMROV via users
• 2022/12/05 Re: [QE-users] Hubbard_occ() Mahmoud Payami Shabestari via users
• 2022/12/05 [QE-users] [QE-GPU] GTX 1650 Marko Boskovic
• 2022/12/05 Re: [QE-users] Hubbard_occ() Iurii TIMROV via users
• 2022/12/05 Re: [QE-users] Hubbard_occ() Mahmoud Payami Shabestari via users
• 2022/12/05 Re: [QE-users] Hubbard_occ() Iurii TIMROV via users
• 2022/12/05 [QE-users] Hubbard_occ() Mahmoud Payami Shabestari via users
• 2022/12/03 Re: [QE-users] Applying assume_isolated="2D" to modified anatase surface [email protected]
• 2022/12/03 [QE-users] calculate LDOS of the surface using quantum Espresso imane BEZZAOUI
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Jamie Holber
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Iurii TIMROV via users
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Jamie Holber
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Iurii TIMROV via users
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Jamie Holber
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Iurii TIMROV via users
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Jamie Holber
• 2022/12/02 [QE-users] LDOS imane BEZZAOUI
• 2022/12/02 Re: [QE-users] Applying assume_isolated="2D" to modified anatase surface Léon Luntadila Lufungula
• 2022/12/02 Re: [QE-users] Problem with Parallelization of Hp.x Iurii TIMROV via users
• 2022/12/02 Re: [QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Ariadni BOZIKI
• 2022/12/01 [QE-users] Problem with Parallelization of Hp.x Jamie Holber
• 2022/12/01 Re: [QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Giuseppe Mattioli
• 2022/12/01 [QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Ariadni BOZIKI
• 2022/12/01 Re: [QE-users] hp.x : Error in routine hp_readin (1): Paolo Giannozzi
• 2022/12/01 Re: [QE-users] hp.x : Error in routine hp_readin (1): Paolo Giannozzi
• 2022/12/01 Re: [QE-users] Applying assume_isolated="2D" to modified anatase surface Pietro Davide Delugas
• 2022/12/01 [QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
• 2022/12/01 [QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
• 2022/12/01 [QE-users] Applying assume_isolated="2D" to modified anatase surface Léon Luntadila Lufungula
• 2022/12/01 Re: [QE-users] Last SCF step of a vc-relax job in DFT+U Mahmoud Payami Shabestari
• 2022/12/01 Re: [QE-users] Last SCF step of a vc-relax job in DFT+U Iurii TIMROV via users
• 2022/11/30 Re: [QE-users] Parallelization and Input/Output of wfc in QE Pietro Davide Delugas
• 2022/11/30 [QE-users] Band structure imane BEZZAOUI
• 2022/11/30 Re: [QE-users] Last SCF step of a vc-relax job in DFT+U Mahmoud Payami Shabestari
• 2022/11/30 [QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
• 2022/11/30 Re: [QE-users] No IR vibrational peak Paolo Giannozzi
• 2022/11/29 [QE-users] Last SCF step of a vc-relax job in DFT+U Mahmoud Payami Shabestari
• 2022/11/29 Re: [QE-users] No IR vibrational peak 홍장희
• 2022/11/29 Re: [QE-users] SIGSEGV with 7.1 but not 7.0 Paolo Giannozzi
• 2022/11/29 Re: [QE-users] Parallelization and Input/Output of wfc in QE Pietro Bonfa'
• 2022/11/29 [QE-users] [SPAM] state surface I . bezzaoui
• 2022/11/29 Re: [QE-users] Parallelization and Input/Output of wfc in QE Stefano Baroni
• 2022/11/29 [QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
• 2022/11/29 Re: [QE-users] hp.x : Error in routine hp_readin (1): Iurii TIMROV via users
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Mahmoud Payami Shabestari via users
• 2022/11/28 Re: [QE-users] SIGSEGV with 7.1 but not 7.0 Paolo Giannozzi
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Paolo Giannozzi
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Mahmoud Payami Shabestari via users
• 2022/11/28 [QE-users] SIGSEGV with 7.1 but not 7.0 Johnson, Miles R.
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Paolo Giannozzi
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Mahmoud Payami Shabestari via users
• 2022/11/28 [QE-users] PAW basis sets for the actinoids Malte Sachs
• 2022/11/28 Re: [QE-users] scf convergency depends on the number of mpi processes !!! Takahiro Chiba
• 2022/11/28 [QE-users] scf convergency depends on the number of mpi processes !!! Mahmoud Payami Shabestari via users
• 2022/11/28 Re: [QE-users] Parallelization and Input/Output of wfc in QE Paolo Giannozzi
• 2022/11/28 Re: [QE-users] Parallelization and Input/Output of wfc in QE Riccardo Piombo uniroma1 via users
• 2022/11/28 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Iurii TIMROV via users
• 2022/11/28 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Vivekanand Shukla
• 2022/11/28 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Iurii TIMROV via users
• 2022/11/28 Re: [QE-users] No IR vibrational peak Lorenzo Paulatto
• 2022/11/27 [QE-users] No IR vibrational peak 홍장희
• 2022/11/27 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Kazume NISHIDATE
• 2022/11/27 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Thomas Brumme
• 2022/11/27 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Iurii TIMROV via users
• 2022/11/25 Re: [QE-users] high-temperature vc-md Kazume NISHIDATE
• 2022/11/25 Re: [QE-users] Parallelization and Input/Output of wfc in QE Paolo Giannozzi
• 2022/11/25 [QE-users] high-temperature vc-md Aleksandra Oranskaia
• 2022/11/25 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Vivekanand Shukla
• 2022/11/25 Re: [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Iurii TIMROV via users
• 2022/11/25 [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system Vivekanand Shukla
• 2022/11/25 Re: [QE-users] Parallelization and Input/Output of wfc in QE Riccardo Piombo uniroma1 via users
• 2022/11/25 Re: [QE-users] Parallelization and Input/Output of wfc in QE Davide Ceresoli
• 2022/11/24 Re: [QE-users] Parallelization and Input/Output of wfc in QE Riccardo Piombo uniroma1 via users
• 2022/11/23 Re: [QE-users] Parallelization and Input/Output of wfc in QE Paolo Giannozzi
• 2022/11/23 [QE-users] Parallelization and Input/Output of wfc in QE Riccardo Piombo uniroma1 via users
• 2022/11/22 [QE-users] [Extended] International Green Technology Competition by Materials Square Dr.Mosab Banisalman
• 2022/11/22 Re: [QE-users] Installation Help Zack Gainsforth
• 2022/11/22 [QE-users] BOMD results naval singh via users
• 2022/11/22 Re: [QE-users] SCF calculation with no convergence BRUNA NÁDIA NEVES DA SILVA
• 2022/11/22 [QE-users] BAD TERMINATION after relax calculation (QE 6.8) Léo Gaspard
• 2022/11/22 Re: [QE-users] conflicting values for igcx Stefano de Gironcoli
• 2022/11/22 Re: [QE-users] conflicting values for igcx Fabrizio Ferrari Ruffino
• 2022/11/22 [QE-users] conflicting values for igcx Levin Rojas, Natalia
• 2022/11/21 Re: [QE-users] Installation Help Md. Jahid Hasan Sagor
• 2022/11/21 Re: [QE-users] Installation Help chamaran
• 2022/11/21 [QE-users] Installation Help Md. Jahid Hasan Sagor
• 2022/11/21 Re: [QE-users] SCF calculation with no convergence Marcelo Falcão de Oliveira via users
• 2022/11/21 Re: [QE-users] SCF calculation with no convergence Josue Itsman Clavijo Penagos
• 2022/11/21 [QE-users] SCF calculation with no convergence BRUNA NÁDIA NEVES DA SILVA
• 2022/11/20 Re: [QE-users] ERROR: Compiling under Intel oneAPI chamaran
• 2022/11/20 Re: [QE-users] ERROR: Compiling under Intel oneAPI chamaran
• 2022/11/20 Re: [QE-users] How to construct the input for multi-structural material ? Paolo Giannozzi
• 2022/11/20 [QE-users] How to construct the input for multi-structural material ? Impact Group via users
• 2022/11/20 [QE-users] How to construct the input for multi-structural material ? Impact Group via users
• 2022/11/20 Re: [QE-users] ERROR: Compiling under Intel oneAPI Paolo Giannozzi
• 2022/11/20 Re: [QE-users] ERROR: Compiling under Intel oneAPI Jibiao Li
• 2022/11/20 [QE-users] ERROR: Compiling under Intel oneAPI chamaran
• 2022/11/20 Re: [QE-users] R: Why I can not reproduce ferromagnetic fcc Ni in QE 7.1 Ramesh Kumar Kamadurai via users
• 2022/11/19 Re: [QE-users] hybrid fucntionals with any DFT one Giuseppe Mattioli
• 2022/11/19 [QE-users] hybrid fucntionals with any DFT one Abdeslam Houari via users
• 2022/11/18 Re: [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value Mahmoud Payami Shabestari via users
• 2022/11/18 [QE-users] Help osawlo safi
• 2022/11/18 [QE-users] Why do I get multiple imaginary frequencies using nat-todo in QE 6.4 Yang-Caiyu via users
• 2022/11/17 Re: [QE-users] Interpretting projwfc.x output Johnson, Miles R.
• 2022/11/17 Re: [QE-users] Interpretting projwfc.x output Johnson, Miles R.
• 2022/11/17 Re: [QE-users] Interpretting projwfc.x output Paolo Giannozzi
• 2022/11/17 [QE-users] Interpretting projwfc.x output Johnson, Miles R.
• 2022/11/17 Re: [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value Kazume NISHIDATE
• 2022/11/17 Re: [QE-users] Compile QE 6.8 Paolo Giannozzi
• 2022/11/17 [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value Mahmoud Payami Shabestari via users
• 2022/11/17 Re: [QE-users] Is it possible to use different input_dft for different types of atoms Paolo Giannozzi
• 2022/11/17 Re: [QE-users] Is it possible to use different input_dft for different types of atoms Lorenzo Paulatto
• 2022/11/17 Re: [QE-users] Is it possible to use different input_dft for different types of atoms Abdeslam Houari via users
• 2022/11/17 Re: [QE-users] Is it possible to use different input_dft for different types of atoms Lorenzo Paulatto
• 2022/11/17 Re: [QE-users] Is it possible to use different input_dft for different types of atoms Giuseppe Mattioli
• 2022/11/17 [QE-users] Is it possible to use different input_dft for different types of atoms Jibiao Li
• 2022/11/17 Re: [QE-users] Compile QE 6.8 Fabrizio Ferrari Ruffino
• 2022/11/17 Re: [QE-users] Compile QE 6.8 Riccardo Piombo uniroma1 via users
• 2022/11/17 [QE-users] R: Why I can not reproduce ferromagnetic fcc Ni in QE 7.1 Pietro Davide Delugas
• 2022/11/16 [QE-users] Why I can not reproduce ferromagnetic fcc Ni in QE 7.1 Jibiao Li
• 2022/11/16 Re: [QE-users] CUDA errors Paolo Giannozzi
• 2022/11/16 [QE-users] increasing system size for AIMD naval singh via users
• 2022/11/16 Re: [QE-users] QE 7.1 compilation error Paolo Giannozzi
• 2022/11/16 Re: [QE-users] Compile QE 6.8 Paolo Giannozzi
• 2022/11/16 Re: [QE-users] Compile QE 6.8 Fabrizio Ferrari Ruffino
• 2022/11/16 Re: [QE-users] Compile QE 6.8 Lorenzo Paulatto
• 2022/11/16 [QE-users] Compile QE 6.8 Riccardo Piombo uniroma1 via users
• 2022/11/16 [QE-users] QE 7.1 compilation error Jibiao Li
• 2022/11/16 Re: [QE-users] QE installation error in version 7.1 [email protected]
• 2022/11/15 [QE-users] QE installation error in version 7.1 Jibiao Li
• 2022/11/15 [QE-users] Strange error for one q-point in ph.x in subroutine set_irr_sym.f90 Holzwarth, Natalie
• 2022/11/11 [QE-users] CUDA errors Christopher Moltisanti
• 2022/11/10 [QE-users] Erro while restarting a relax calculation file ARKA PRAVA SARKAR via users
• 2022/11/10 [QE-users] Dielectric constant calculations Meysam Pazoki via users
• 2022/11/09 [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth KRISHNENDU MUKHERJEE
• 2022/11/09 [QE-users] [Webinar] Extracting Bonds from Bands: COHP and other Chemical-Bonding Tools via LOBSTER Dr.Mosab Banisalman
• 2022/11/09 [QE-users] Role of alpha_mix flag in electron-phonon calculations Prarena Jamwal via users
• 2022/11/09 Re: [QE-users] nscf with Hubbard Paolo Giannozzi
• 2022/11/09 Re: [QE-users] LDA+U with Spin Orbit coupling in VC-RELAX. Are forces computed? Matteo Cococcioni
• 2022/11/09 [QE-users] LDA+U with Spin Orbit coupling in VC-RELAX. Are forces computed? Sifuna James
• 2022/11/09 Re: [QE-users] The pencil decomposition option Elio Physics
• 2022/11/09 Re: [QE-users] The pencil decomposition option Elio Physics
• 2022/11/09 Re: [QE-users] The pencil decomposition option Paolo Giannozzi
• 2022/11/09 Re: [QE-users] The pencil decomposition option Lorenzo Bastonero
• 2022/11/09 [QE-users] The pencil decomposition option Elio Physics
• 2022/11/08 Re: [QE-users] energy increase in nvt aimd simulation naval singh via users
• 2022/11/08 Re: [QE-users] energy increase in nvt aimd simulation Lorenzo Paulatto
• 2022/11/08 [QE-users] energy increase in nvt aimd simulation naval singh via users
• 2022/11/08 [QE-users] nscf with Hubbard Aleksandra Oranskaia
• 2022/11/07 Re: [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth Jayraj Anadani
• 2022/11/07 Re: [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth Kazume NISHIDATE
• 2022/11/07 Re: [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth Jayraj Anadani
• 2022/11/07 Re: [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth Kazume NISHIDATE
• 2022/11/07 Re: [QE-users] Regarding antiferromagnetic state energy calculation Giuseppe Mattioli
• 2022/11/07 [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth Jayraj Anadani
• 2022/11/07 Re: [QE-users] oscillations in G(V) diagram Lorenzo Paulatto
• 2022/11/07 Re: [QE-users] Comparison of k_points for two different inputs of BCC structure KRISHNENDU MUKHERJEE
• 2022/11/06 Re: [QE-users] oscillations in G(V) diagram Jakob Kraus
• 2022/11/06 [QE-users] SG15 Norm-Conserving Pseudopotentials: need a scalar relativistic NCPP for Hg with wavefunctions for projections alpin novianus via users
• 2022/11/06 [QE-users] Regarding antiferromagnetic state energy calculation DHILSHADA V.N.
• 2022/11/05 Re: [QE-users] oscillations in G(V) diagrams Lorenzo Paulatto
• 2022/11/05 Re: [QE-users] oscillations in G(V) diagrams Lorenzo Bastonero
• 2022/11/04 Re: [QE-users] Again Fatal error in PMPI_Comm_free Yang Liu
• 2022/11/04 [QE-users] No or band convergence for WS2 bilayer Giovanni Cantele
• 2022/11/04 Re: [QE-users] Again Fatal error in PMPI_Comm_free Paolo Giannozzi
• 2022/11/03 [QE-users] International Green Technology Competition by Materials Square Dr.Mosab Banisalman
• 2022/11/03 Re: [QE-users] Again Fatal error in PMPI_Comm_free Yang Liu
• 2022/11/03 Re: [QE-users] Again Fatal error in PMPI_Comm_free Paolo Giannozzi
• 2022/11/03 Re: [QE-users] Again Fatal error in PMPI_Comm_free Yang Liu
• 2022/11/03 Re: [QE-users] error compiling QE: gen_us_dj_gpu.f90, "Cannot open module file 'device_fbuff_m.mod' " Paolo Giannozzi
• 2022/11/03 Re: [QE-users] Again Fatal error in PMPI_Comm_free Paolo Giannozzi
• 2022/11/03 Re: [QE-users] Again Fatal error in PMPI_Comm_free Yang Liu
• 2022/11/03 Re: [QE-users] users Digest, Vol 184, Issue 3 Yang Liu
• 2022/11/02 [QE-users] Again Fatal error in PMPI_Comm_free Michal Husak via users
• 2022/11/02 Re: [QE-users] error with virtual_v2.x Lorenzo Paulatto
• 2022/11/01 Re: [QE-users] open_grid for epsilon.x Lorenzo Paulatto
• 2022/11/01 Re: [QE-users] Pseudopotentials for magnetized computations MARRAZZO ANTIMO

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