August 2021 Archives by date

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Starting: Sun Aug 1 19:43:22 CEST 2021
Ending: Tue Aug 31 23:15:14 CEST 2021
Messages: 144

[QE-users] Problem in SOC + magnetic calculations MEGHA GOYAL
[QE-users] [SUSPECT ATTACHMENT REMOVED] [QE-GPU] OpenMP is not working with my compilation Takahiro Chiba
[QE-users] pw.x Error for QE6.4 venky ch
[QE-users] compilation errors @ QE 6.8 version venky ch
[QE-users] compilation errors @ QE 6.8 version Takahiro Chiba
[QE-users] [QE-GPU] OpenMP is not working with my compilation Takahiro Chiba
[QE-users] Help: Could you please teach me how to improve the accuracy of LDA+U calculation when reading maximally localized Wannier function files? yfang330
[QE-users] compilation errors @ QE 6.8 version venky ch
[QE-users] compilation errors @ QE 6.8 version Takahiro Chiba
[QE-users] Electron-phonon with Hubbard U is not supported Iurii TIMROV
[QE-users] [SUSPECT ATTACHMENT REMOVED] [QE-GPU] OpenMP is not working with my compilation Paolo Giannozzi
[QE-users] Atomic velocities units Paolo Giannozzi
[QE-users] Atomic velocities units valeria arteaga muñiz
[QE-users] Molecular Orbital Isovalue/Grid Value meaning? Jeremy Richard
[QE-users] Help: Could you please teach me how to improve the accuracy of LDA+U calculation when reading maximally localized Wannier function files? yfang330
[QE-users] [SUSPECT ATTACHMENT REMOVED] [QE-GPU] OpenMP is not working with my compilation Filippo Spiga
[QE-users] Forces are oscillating for P Dr. K. C. Bhamu
[QE-users] compilation errors @ QE 6.8 version venky ch
[QE-users] Can not compile on MAC Ola Starkolis
[QE-users] Problem running relax and vc-relax after soft mode phase transition theory Shahar Zuri
[QE-users] (no subject) Guangyao Gao
[QE-users] Atomic velocities units Lorenzo Paulatto
[QE-users] [SUSPECT ATTACHMENT REMOVED] [QE-GPU] OpenMP is not working with my compilation Takahiro Chiba
[QE-users] No plane waves found: running on too many processors? SYED ZAIN MEHMOOD
[QE-users] compilation errors @ QE 6.8 version Takahiro Chiba
[QE-users] Calculate the phonon with breakdown with "from read_scf : error # 1 Reading PAW becsum" zhenqing li
[QE-users] Calculate the phonon of the same structure with different input form zhenqing li
[QE-users] Band Structure of Armchair CNT ALVANH ALEM PIDO
[QE-users] No plane waves found: running on too many processors? Ilya Ryabinkin
[QE-users] Forces are oscillating for P Dr. K. C. Bhamu
[QE-users] Forces are oscillating for P Eduardo Menendez
[QE-users] dft_d3 contributes NaN forces (Yang Liu) Yang Liu
[QE-users] [SPAM] uniaxial pressure 526587466 at qq.com
[QE-users] Difference between the activation energy and migration energy RAJNEESH CHAURASIYA (P16PH001)
[QE-users] [SPAM] uniaxial pressure 526587466 at qq.com
[QE-users] pslibrary.1.0.0 - Problem generating Pt pbesol kjpaw pseudopotential (PP) Shuttleworth, Ian
[QE-users] pslibrary.1.0.0 - Problem generating Pt pbesol kjpaw pseudopotential (PP) Lorenzo Paulatto
[QE-users] pslibrary.1.0.0 - Problem generating Pt pbesol kjpaw pseudopotential (PP) Shuttleworth, Ian
[QE-users] Atomic velocities units valeria arteaga muñiz
[QE-users] Atomic velocities units Kazume NISHIDATE
[QE-users] [SUSPECT ATTACHMENT REMOVED] effective charges sum far from zero Ronald Cohen
[QE-users] effective charges sum far from zero Ronald Cohen
[QE-users] Atomic velocities units Lorenzo Paulatto
[QE-users] Atomic velocities units Nicola Marzari
[QE-users] Atomic velocities units valeria arteaga muñiz
[QE-users] [SPAM] DFT-D plus vdW functional 526587466 at qq.com
[QE-users] Atomic velocities units nisidate nisidate
[QE-users] pslibrary.1.0.0 - Problem generating Pt pbesol kjpaw pseudopotential (PP) Paolo Giannozzi
[QE-users] [SPAM] phonon band projection on atom 526587466 at qq.com
[QE-users] [SUSPECT ATTACHMENT REMOVED] effective charges sum far from zero Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] effective charges sum far from zero Ronald Cohen
[QE-users] Units, and real/imaginary parts of matrix elements of momentum operator in band.x weiyd at hit.edu.cn
[QE-users] [SUSPECT ATTACHMENT REMOVED] effective charges sum far from zero Ronald Cohen
[QE-users] Spin-orbit: coupling constant in pwscf Christoph Wolf
[QE-users] Reference for BFGS ion dynamics Dr. K. C. Bhamu
[QE-users] [SPAM] phonon band projection on atom Lorenzo Paulatto
[QE-users] dft_d3 contributes NaN forces (Yang Liu) Paolo Giannozzi
[QE-users] [SPAM] phonon band projection on atom Lorenzo Paulatto
[QE-users] Absorption spectra for systems with unpaired electrons (Yang Liu) Yang Liu
[QE-users] r vectors and dispersion correction Michalchuk, Adam
[QE-users] r vectors and dispersion correction Paolo Giannozzi
[QE-users] Fwd: Absorption spectra for systems with unpaired electrons (Yang Liu) Matthew Marcus
[QE-users] Absorption spectra for systems with unpaired electrons (Yang Liu) Yang Liu
[QE-users] Compiling QE6.8 with Intel MPI and MKL Kondaiah Samudrala
[QE-users] Compiling QE6.8 with Intel MPI and MKL Mohammad Moaddeli
[QE-users] ld1.x: Generate NCPP for B Hanfei Li
[QE-users] Compiling QE6.8 with Intel MPI and MKL Lorenzo Paulatto
[QE-users] Found Rotation Not Compatible With FFT Grid Truman Ng Yu
[QE-users] Problem with constraint optimization Levin Rojas, Natalia
[QE-users] Non standard space groups usage with Qunatum Espresso Michal Husak
[QE-users] r vectors and dispersion correction Michalchuk, Adam
[QE-users] Found Rotation Not Compatible With FFT Grid Paolo Giannozzi
[QE-users] QE6.8: "Slab decomposition and task groups not implemented" Sebastian Hütter
[QE-users] Non standard space groups usage with Qunatum Espresso Paolo Giannozzi
[QE-users] Problem with constraint optimization Paolo Giannozzi
[QE-users] Total energy of charged slabs Zhenyao Fang
[QE-users] Total energy of charged slabs Terry Frankcombe
[QE-users] [EXT] Total energy of charged slabs Andreussi, Oliviero
[QE-users] [EXT] Total energy of charged slabs nisidate nisidate
[QE-users] [EXT] Total energy of charged slabs nisidate nisidate
[QE-users] EPW error>>kgmap 王绍菲
[QE-users] Formation energy at finite temperatures mac254 at centrum.sk
[QE-users] About wave function binary files from scf calculations DH HAN
[QE-users] EPW error>>kgmap Paolo Giannozzi
[QE-users] About wave function binary files from scf calculations Paolo Giannozzi
[QE-users] QE6.8: "Slab decomposition and task groups not implemented" Paolo Giannozzi
[QE-users] QE6.8: "Slab decomposition and task groups not implemented" Sebastian Hütter
[QE-users] EPW error>>kgmap 王绍菲
[QE-users] [External Email] Re: EPW error>>kgmap Hari Paudyal
[QE-users] [External Email] Re: EPW error>>kgmap 王绍菲
[QE-users] EPW error>>kgmap (???) Marcelo Albuquerque
[QE-users] [External Email] Re: EPW error>>kgmap (???) Hari Paudyal
[QE-users] [External Email] Re: EPW error>>kgmap (???) 王绍菲
[QE-users] [External Email] Re: EPW error>>kgmap (???) 王绍菲
[QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors tanghong992 at outlook.com
[QE-users] spin orbit coupling potential Jacopo Simoni
[QE-users] QE-NEB-path files Eleftheria Gkogkosi
[QE-users] QE6.8: "Slab decomposition and task groups not implemented" Paolo Giannozzi
[QE-users] metal/organic interface benzene adhesion Ola Starkolis
[QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors Paolo Giannozzi
[QE-users] QE6.8: "Slab decomposition and task groups not implemented" Sebastian Hütter
[QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors tanghong992 at outlook.com
[QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors Terry Frankcombe
[QE-users] Regarding Relaxing atomic positions with version 6.8 Kondaiah Samudrala
[QE-users] Regarding Relaxing atomic positions with version 6.8 박민규
[QE-users] Regarding Relaxing atomic positions with version 6.8 Kondaiah Samudrala
[QE-users] Regarding Relaxing atomic positions with version 6.8 Paolo Giannozzi
[QE-users] Regarding Relaxing atomic positions with version 6.8 Kondaiah Samudrala
[QE-users] Regarding Relaxing atomic positions with version 6.8 Vahid Askarpour
[QE-users] Query regarding plot for fcc PDC using matdyn.x Pooja Vyas
[QE-users] Query regarding plot for fcc PDC using matdyn.x Stefano de Gironcoli
[QE-users] Regarding ILDOS Satyasiban Dash ph19d005
[QE-users] Regarding Relaxing atomic positions with version 6.8 Takahiro Chiba
[QE-users] normalization of wfcs (wfck2r) Christoph Wolf
[QE-users] normalization of wfcs (wfck2r) Davide Ceresoli
[QE-users] pseudopotentials implemented in epsilon.x patrizio.graziosi at cnr.it
[QE-users] Regarding Relaxing atomic positions with version 6.8 Paolo Giannozzi
[QE-users] pseudopotentials implemented in epsilon.x Lorenzo Paulatto
[QE-users] Elastic properties of 2D material Abolore Musari
[QE-users] pseudopotentials implemented in epsilon.x Giuseppe Mattioli
[QE-users] QE-epw erro >> Conduction band minimum 王绍菲
[QE-users] Error in running CP vrahul at iitk.ac.in
[QE-users] Error in running CP Paolo Giannozzi
[QE-users] QE-epw erro >> Conduction band minimum Paolo Giannozzi
[QE-users] QE-NEB-path files Paolo Giannozzi
[QE-users] [External Email] Re: QE-epw erro >> Conduction band minimum Hari Paudyal
[QE-users] Small query about U parameter. poonamsharma
[QE-users] [SPAM] bug in running neb in QE6.8 Jibiao Li
[QE-users] Error in running CP vrahul at iitk.ac.in
[QE-users] bugs in running NEB in QE 6.8 Jibiao Li
[QE-users] MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1 Microsoft.com team
[QE-users] MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1 Lorenzo Paulatto
[QE-users] Small query about U parameter. Iurii TIMROV
[QE-users] bugs in running NEB in QE 6.8 Paolo Giannozzi
[QE-users] effective charges sum far from zero Ronald Cohen
[QE-users] 回复： bugs in running NEB in QE 6.8 Jibiao Li
[QE-users] MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1 Microsoft.com team
[QE-users] [External Email] Re: QE-epw erro >> Conduction band minimum 王绍菲
[QE-users] QE6.8 ESM updated manual? Hong Tang
[QE-users] erro when run epw2>>lack of vmedata.fmt 王绍菲
[QE-users] QE6.8 ESM updated manual? Pietro Davide Delugas
[QE-users] QE6.8 ESM updated manual? tanghong992 at outlook.com
[QE-users] QE6.8 ESM updated manual? Paolo Giannozzi
[QE-users] HSE03 Andrew

Last message date: Tue Aug 31 23:15:14 CEST 2021
Archived on: Tue Aug 31 23:14:28 CEST 2021

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