October 2014 Archives by date

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Starting: Wed Oct 1 09:57:42 CEST 2014
Ending: Fri Oct 31 22:39:46 CET 2014
Messages: 221

• [Pw_forum] High symmetry points   Winfred Mulwa
• [Pw_forum] clarifications regarding structure optimization   janardhan H.L.
• [Pw_forum] High symmetry points   Axel Kohlmeyer
• [Pw_forum] Error while running excises   Mohammed Ghadiyali
• [Pw_forum] clarifications regarding structure optimization   Paolo Giannozzi
• [Pw_forum] clarifications regarding structure optimization   ASAKURA, Hiroyuki
• [Pw_forum] electron phonon interaction   German Samolyuk
• [Pw_forum] Help on band gap calculation   Boateng Isaac Wiafe
• [Pw_forum] Help on bulk modulus calculation of an orthorhombic LaFeO3 system   Boateng Isaac Wiafe
• [Pw_forum] Help on bulk modulus calculation of an orthorhombic LaFeO3 system   Giuseppe Mattioli
• [Pw_forum] Question regarding celldm input   Ben Jawdat
• [Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely   Li, Run
• [Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely   Paolo Giannozzi
• [Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely   Li, Run
• [Pw_forum] Problem w/ 1st BZ of orthorhombic structures in QE   Cameron Foss
• [Pw_forum] Help on bulk modulus calculation of an orthorhombic LaFeO3 system   Muthu V
• [Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely   Ariadna Blanca Romero
• [Pw_forum] Question regarding celldm input   Ariadna Blanca Romero
• [Pw_forum] band gap at Gamma point in primitive cell different from the band gap at Gamma point in conventional cell   Juliana Morbec
• [Pw_forum] Interpretation of the electron phonon results.   Elio Physics
• [Pw_forum] Interpretation of the electron phonon results.   Lorenzo Paulatto
• [Pw_forum] time-dependent perturbation theory   yelena
• [Pw_forum] LDA+U problem   Jiajie Zhu
• [Pw_forum] LDA+U problem   Matteo Cococcioni
• [Pw_forum] LDA+U problem   Jiajie Zhu
• [Pw_forum] LDA+U problem   Matteo Cococcioni
• [Pw_forum] LDA+U problem   Matteo Cococcioni
• [Pw_forum] LDA+U problem   Andrei Malashevich
• [Pw_forum] Question regarding celldm input   Ben Jawdat
• [Pw_forum] LDA+U problem   Sclauzero Gabriele
• [Pw_forum] LDA+U problem   Jiajie Zhu
• [Pw_forum] LDA+U problem   Mehmet Topsakal
• [Pw_forum] LDA+U problem   Sclauzero Gabriele
• [Pw_forum] convergence of sigma 5 GB   Ravi Kiran
• [Pw_forum] convergence of sigma 5 GB   Nicola Marzari
• [Pw_forum] MD calculations result in errors due to ions   shenna shearin
• [Pw_forum] MD calculations result in errors due to ions   Nicola Marzari
• [Pw_forum] MD calculations result in errors due to ions   Darshana Wickramaratne
• [Pw_forum] MD calculations result in errors due to ions   shenna shearin
• [Pw_forum] MD calculations result in errors due to ions   Paolo Giannozzi
• [Pw_forum] MD calculations result in errors due to ions   Lorenzo Paulatto
• [Pw_forum] error   amitharani
• [Pw_forum] error   Giovanni Cantele
• [Pw_forum] Not running on parallel mode   mohaddeseh abbasnejad
• [Pw_forum] Not running on parallel mode   Layla Martin-Samos
• [Pw_forum] Not running on parallel mode   mohaddeseh abbasnejad
• [Pw_forum] Not running on parallel mode   Giovanni La Penna
• [Pw_forum] Not running on parallel mode   Axel Kohlmeyer
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   Juliana Morbec
• [Pw_forum] elphon.f90   Sridhar Sadasivam
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   Paolo Giannozzi
• [Pw_forum] Two problems with ph.x and nimage option   Florian Altvater
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   amitharani
• [Pw_forum] Two problems with ph.x and nimage option   Andrea Dal Corso
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   Juliana Morbec
• [Pw_forum] convergence of sigma 5 GB   Ravi Kiran
• [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   Paolo Giannozzi
• [Pw_forum] Can the Max number of k-points be more than 40,000？   dingfu.shao
• [Pw_forum] Can the Max number of k-points be more than 40,000？   Paolo Giannozzi
• [Pw_forum] J-coupling and Zero-field-splitting in the GIPAW code   Hosung Seo
• [Pw_forum] Can the Max number of k-points be more than 40,000？   Pang Rui
• [Pw_forum] Can the Max number of k-points be more than 40,000？   dingfu.shao
• [Pw_forum] Two problems with ph.x and nimage option   Florian Altvater
• [Pw_forum] Different convergence behavior in non-collinear SO calculation   H. Lee
• [Pw_forum] Different convergence behavior in non-collinear SO calculation   Paolo Giannozzi
• [Pw_forum] the Quantum ESPRESSO prize for quantum mechanical materials modeling   Stefano Baroni
• [Pw_forum] Different convergence behavior in non-collinear SO calculation   H. Lee
• [Pw_forum] Error in davcio running pw4gww   Valentina Cantatore
• [Pw_forum] Different convergence behavior in non-collinear SO calculation   Paolo Giannozzi
• [Pw_forum] Error in davcio running pw4gww   Paolo Giannozzi
• [Pw_forum] Error in davcio running pw4gww   Valentina Cantatore
• [Pw_forum] Magnetic moment per site VS absolute magnetization   高淼
• [Pw_forum] How can I extract hopping parameters from the output of wannier90   Pang Rui
• [Pw_forum] Magnetic moment per site VS absolute magnetization   Pang Rui
• [Pw_forum] band gap at Gamma point in primitive cell different from the band gap at Gamma point in conventional cell   xirainbow
• [Pw_forum] How can I extract hopping parameters from the output of wannier90   Giovanni Pizzi
• [Pw_forum] How can I extract hopping parameters from the output of wannier90   Giovanni Pizzi
• [Pw_forum] New searchable archive   Paolo Giannozzi
• [Pw_forum] electron-phonon coupling of spin-orbit coupling system   盖彦峰
• [Pw_forum] Error in davcio running pw4gww   Valentina Cantatore
• [Pw_forum] Error in davcio running pw4gww   Paolo Giannozzi
• [Pw_forum] Error in davcio running pw4gww   Valentina Cantatore
• [Pw_forum] dipole correction and slab phonon   秦新明
• [Pw_forum] dipole correction and slab phonon   Andrea Dal Corso
• [Pw_forum] Interpretation of the electron phonon results.   German Samolyuk
• [Pw_forum] How can I extract hopping parameters from the output of wannier90   Pang Rui
• [Pw_forum] .q2r errror and .save file error   Garrett Meeks
• [Pw_forum] constant D-field   Nossa, Javier
• [Pw_forum] Wave functions for Post Processing   Samin, Adib J.
• [Pw_forum] Wave functions for Post Processing   Robert Hembree
• [Pw_forum] rVV10 calculations in espresso 5.1   Andrea Floris
• [Pw_forum] rVV10 calculations in espresso 5.1   Paolo Giannozzi
• [Pw_forum] Issue while executing QE-5.0 GPU   Nisha Agrawal
• [Pw_forum] vdw correction for Bi-layer grahene   plgong
• [Pw_forum] rVV10 calculations in espresso 5.1   Andrea Floris
• [Pw_forum] (no subject)   khadije.khalili at gmail.com
• [Pw_forum] vdw correction for Bi-layer grahene   Pang Rui
• [Pw_forum] vdw correction for Bi-layer grahene   Paolo Giannozzi
• [Pw_forum] Optical absorption using GW approximation   Barnali Bhattacharya
• [Pw_forum] vdw correction for Bi-layer grahene   plgong
• [Pw_forum] Optical absorption using GW approximation   Giuseppe Mattioli
• [Pw_forum] band decomposed pDOS   Kapildeb Dolui
• [Pw_forum] wrong representation   Alwaleed Adllan
• [Pw_forum] wrong representation   Paolo Giannozzi
• [Pw_forum] wrong representation   Alwaleed Adllan
• [Pw_forum] wrong representation   Alwaleed Adllan
• [Pw_forum] T(E,V)   raha khalili
• [Pw_forum] T(E,V)   BARRETEAU Cyrille
• [Pw_forum] wrong representation   Sridhar Sadasivam
• [Pw_forum] WARNING: bfgs curvature condition failed   Mutlu COLAKOGULLARI
• [Pw_forum] (no subject)   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Lowdin charges   khadije.khalili at gmail.com
• [Pw_forum] Issue while executing QE-5.0 GPU   Filippo Spiga
• [Pw_forum] Convergence of Magnetization in Graphene Monovacancy Supercell   Haricharan Padmanabhan
• [Pw_forum] Electric field in silicene   siham Sadki
• [Pw_forum] Band structure calculation with external electric field.   Barnali Bhattacharya
• [Pw_forum] Electric field in silicene   plgong
• [Pw_forum] Convergence of Magnetization in Graphene Monovacancy Supercell   Lorenzo Paulatto
• [Pw_forum] Band structure calculation with external electric field.   plgong
• [Pw_forum] electric field   Nossa, Javier
• [Pw_forum] nqx=1 in input but full grid in output   Roberto Gaspari
• [Pw_forum] Issue while executing QE-5.0 GPU   Nisha Agrawal
• [Pw_forum] nqx=1 in input but full grid in output   Lorenzo Paulatto
• [Pw_forum] Error in davcio running head.x   Valentina Cantatore
• [Pw_forum] Quantum Espresso for Solid-Solid interfaces?   daniel idukkala Idukkala
• [Pw_forum] Convergence of Magnetization in Graphene Monovacancy Supercell   BARRETEAU Cyrille
• [Pw_forum] Binding energy of Ti on Graphene oxide sheet   rajiv kumar
• [Pw_forum] Error in davcio running head.x   Paolo Giannozzi
• [Pw_forum] Error in davcio running head.x   Valentina Cantatore
• [Pw_forum] Quantum Espresso for Solid-Solid interfaces?   Giovanni Cantele
• [Pw_forum] Hybridfunctionals in QE 5.1   Florian Lazarevic
• [Pw_forum] Hybridfunctionals in QE 5.1   Paolo Giannozzi
• [Pw_forum] Hybridfunctionals in QE 5.1   Giuseppe Mattioli
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Elliot Menkah
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Elliot Menkah
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Gabriel Greene
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Gabriel Greene
• [Pw_forum] VC-Relax taking too long on a 4-atom system   stefano de gironcoli
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Juanjo Meléndez
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Elliot Menkah
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Paolo Giannozzi
• [Pw_forum] Question About Lowdin Charges   Vic Bermudez
• [Pw_forum] (no subject)   Albert Aniagyei
• [Pw_forum] Help   Albert Aniagyei
• [Pw_forum] VC-Relax taking too long on a 4-atom system   Elliot Menkah
• [Pw_forum] Question About Lowdin Charges   Paolo Giannozzi
• [Pw_forum] Hybridfunctionals in QE 5.1   Paolo Giannozzi
• [Pw_forum] Question About Lowdin Charges   Hande Ustunel
• [Pw_forum] Hubbard force discrepancies   Dmitry Novoselov
• [Pw_forum] Hubbard force discrepancies   stefano de gironcoli
• [Pw_forum] Hubbard force discrepancies   Matteo Cococcioni
• [Pw_forum] LDA, PBE and PBEsol and Cohesive energy   Elliot Menkah
• [Pw_forum] LDA, PBE and PBEsol and Cohesive energy   Nicola Marzari
• [Pw_forum] LDA, PBE and PBEsol and Cohesive energy   Giuseppe Mattioli
• [Pw_forum] Help   Albert Aniagyei
• [Pw_forum] Hubbard force discrepancies   Dmitry Novoselov
• [Pw_forum] Error in davcio running head.x   Valentina Cantatore
• [Pw_forum] Total Magnetization and Absolute Magnetization   Arter, Calvin
• [Pw_forum] Total Magnetization and Absolute Magnetization   Arles V. Gil Rebaza
• [Pw_forum] band structure symmetry   pourya at flex.phys.tohoku.ac.jp
• [Pw_forum] Raman for graphene   plgong
• [Pw_forum] LDA, PBE and PBEsol and Cohesive energy   Elliot Menkah
• [Pw_forum] LDA, PBE and PBEsol and Cohesive energy   Elliot Menkah
• [Pw_forum] Raman for graphene   Ari P Seitsonen
• [Pw_forum] Temperature in pwscf   Khalid Ibne Masood Khalid
• [Pw_forum] Temperature in pwscf   Nicola Marzari
• [Pw_forum] Raman for graphene   Nicola Marzari
• [Pw_forum] Raman for graphene   plgong
• [Pw_forum] band structure symmetry   Andrea Dal Corso
• [Pw_forum] band structure symmetry   pourya
• [Pw_forum] Saving xcrysden image   Winfred Mulwa
• [Pw_forum] Fw: Re: Re: Re: Raman for graphene   plgong
• [Pw_forum] best pseudo for Ni in b-NiOOH   francesca costanzo
• [Pw_forum] best pseudo for Ni in b-NiOOH   Elliot Menkah
• [Pw_forum] vc-relax input file for bulk modulus calculation of LaFeO3   Boateng Isaac Wiafe
• [Pw_forum] Questions on spin-polarized calculations   yhli
• [Pw_forum] QE-GPU v14.10.0 has been released!   Filippo Spiga
• [Pw_forum] (Без темы)   Бадретдинов Данис
• [Pw_forum] Input   Albert Aniagyei
• [Pw_forum] Input   Paolo Giannozzi
• [Pw_forum] Detecting Magnetic ion   Youssef Aharbil
• [Pw_forum] Fw: Re: Re: Re: Raman for graphene   Haibei Huang
• [Pw_forum] Fwd: Issue while executing QE-5.0 GPU   Nisha Agrawal
• [Pw_forum] Issue while executing QE-5.0 GPU   Filippo Spiga
• [Pw_forum] Convergence of Magnetization in Graphene   Haricharan Padmanabhan
• [Pw_forum] Inconsistency in local charge/moment analysis   BARRETEAU Cyrille
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   HPC SUPPORT
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Bramha Pandey
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Paolo Giannozzi
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Lorenzo Paulatto
• [Pw_forum] "starting and expected charge differ" in spin-polarized calculation   李云海
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] QE-GPU compile error.   Filippo Spiga
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] TB09 metaGGA   Juanjo Meléndez
• [Pw_forum] QE-GPU compile error.   Filippo Spiga
• [Pw_forum] WARNING: bfgs curvature condition failed, Theta= 0.985   Mutlu COLAKOGULLARI
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] QE-GPU compile error.   Filippo Spiga
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] QE-GPU compile error.   Filippo Spiga
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Filippo Spiga
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Filippo Spiga
• [Pw_forum] QE-GPU compile error.   Mateus José Fernandes Martins
• [Pw_forum] Using dynmat.x or not - H trapped in a rigid W vacancy   Nicolas Fernandez
• [Pw_forum] TB09 metaGGA   Pascal BOULET
• [Pw_forum] QE-GPU compile error.   Filippo Spiga
• [Pw_forum] TB09 metaGGA   Juanjo Meléndez
• [Pw_forum] TB09 metaGGA   Yves Ferro
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   HPC SUPPORT
• [Pw_forum] Relativistic ultrasoft pseudopotential for Co   Prasenjit Ghosh
• [Pw_forum] vc-relax calculation did not converge after 100 iterations   Boateng Isaac Wiafe
• [Pw_forum] Relativistic ultrasoft pseudopotential for Co   BARRETEAU Cyrille
• [Pw_forum] TB09 metaGGA   Juanjo Meléndez
• [Pw_forum] LaFeO3 configuration in the &SYSTEM namelist   Boateng Isaac Wiafe
• [Pw_forum] Magnetic Anisotropy Energy (MAE)   toufik esssakhri
• [Pw_forum] TB09 metaGGA   Pascal BOULET
• [Pw_forum] TB09 metaGGA   Giuseppe Mattioli
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Arpan Kundu

Last message date: Fri Oct 31 22:39:46 CET 2014
Archived on: Wed Feb 28 11:13:02 CET 2018

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