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Messages by Date

• 2013/06/01 [Pw_forum] phonon calculation Banafshe Noori
• 2013/06/01 [Pw_forum] neb.x with v5.0.2 paolo paoli100
• 2013/06/01 [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge Alexey Akimov
• 2013/06/01 [Pw_forum] A few questions about MD simulations Mike Marchywka
• 2013/06/01 [Pw_forum] A few questions about MD simulations Paolo Giannozzi
• 2013/06/01 [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge Giuseppe Mattioli
• 2013/05/31 [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge Alexey Akimov
• 2013/05/31 [Pw_forum] QE-GPU releases, detailed package list Filippo Spiga
• 2013/05/31 [Pw_forum] A few questions about MD simulations Robert Hembree
• 2013/05/31 [Pw_forum] What is the function of "drho_e" file? xirainbow
• 2013/05/31 [Pw_forum] bader analysis Giuseppe Mattioli
• 2013/05/31 [Pw_forum] Carbon nanotube Axel Kohlmeyer
• 2013/05/31 [Pw_forum] Carbon nanotube Mahmoud Hammouri
• 2013/05/31 [Pw_forum] bader analysis Prasenjit Ghosh
• 2013/05/31 [Pw_forum] bader analysis Sakhrawi Taoufek
• 2013/05/31 [Pw_forum] bader analysis Giuseppe Mattioli
• 2013/05/31 [Pw_forum] bader analysis Giovanni La Penna
• 2013/05/31 [Pw_forum] bader analysis Axel Kohlmeyer
• 2013/05/31 [Pw_forum] bader analysis Ari P Seitsonen
• 2013/05/31 [Pw_forum] bader analysis Sakhrawi Taoufek
• 2013/05/30 [Pw_forum] phonon calculation with no convergence Peram sreenivasa reddy
• 2013/05/30 [Pw_forum] "Raman activities" do not converge xirainbow
• 2013/05/30 [Pw_forum] phonon calculation with no convergence Sanjeev Gupta
• 2013/05/30 [Pw_forum] phonon calculation with no convergence [email protected]
• 2013/05/30 [Pw_forum] graphen with adatoms input yelena
• 2013/05/30 [Pw_forum] Convergence issues Yantao Wu
• 2013/05/30 [Pw_forum] graphen with adatoms input Paolo Giannozzi
• 2013/05/30 [Pw_forum] "Raman activities" do not converge Lorenzo Paulatto
• 2013/05/30 [Pw_forum] The new GPU-version QE Chengyang Li
• 2013/05/30 [Pw_forum] "Raman activities" do not converge xirainbow
• 2013/05/30 [Pw_forum] "Raman activities" do not converge xirainbow
• 2013/05/30 [Pw_forum] graphen with adatoms input yelena
• 2013/05/30 [Pw_forum] The new GPU-version QE Filippo Spiga
• 2013/05/30 [Pw_forum] Convergence issues Paolo Giannozzi
• 2013/05/30 [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge Paolo Giannozzi
• 2013/05/29 [Pw_forum] Getting NaN values in QHA calculations Sanjeev Gupta
• 2013/05/29 [Pw_forum] primitive cell for slab calc Sanjeev Gupta
• 2013/05/29 [Pw_forum] "Raman activities" do not converge xirainbow
• 2013/05/29 [Pw_forum] Convergence issues Yantao Wu
• 2013/05/29 [Pw_forum] *.save non existent or non writable Axel Kohlmeyer
• 2013/05/29 [Pw_forum] *.save non existent or non writable Sakhrawi Taoufek
• 2013/05/29 [Pw_forum] "Raman activities" do not converge Paolo Giannozzi
• 2013/05/29 [Pw_forum] "Raman activities" do not converge Sanjeev Gupta
• 2013/05/29 [Pw_forum] "Raman activities" do not converge xirainbow
• 2013/05/29 [Pw_forum] *.save non existent or non writable Sakhrawi Taoufek
• 2013/05/29 [Pw_forum] Fwd: error while running pw4gww.x Vinay Hegde
• 2013/05/29 [Pw_forum] Convergence issues Paolo Giannozzi
• 2013/05/28 [Pw_forum] Getting NaN values in QHA calculations Peram sreenivasa reddy
• 2013/05/28 [Pw_forum] Fwd: error while running pw4gww.x Anjali Singh
• 2013/05/28 [Pw_forum] Local pseudopotential Yuning Wu
• 2013/05/28 [Pw_forum] Convergence issues Yantao Wu
• 2013/05/28 [Pw_forum] Questions on ibrav in pw.x Yantao Wu
• 2013/05/28 [Pw_forum] The new GPU-version QE Chengyang Li
• 2013/05/28 [Pw_forum] The new GPU-version QE yelena
• 2013/05/28 [Pw_forum] The new GPU-version QE Chengyang Li
• 2013/05/28 [Pw_forum] error while running pw4gww.x Paolo Giannozzi
• 2013/05/28 [Pw_forum] primitive cell for slab calc vijaya subramanian
• 2013/05/28 [Pw_forum] error while running pw4gww.x Anjali Singh
• 2013/05/28 [Pw_forum] Questions on ibrav in pw.x Axel Kohlmeyer
• 2013/05/28 [Pw_forum] Questions on ibrav in pw.x mohnish pandey
• 2013/05/28 [Pw_forum] Questions on ibrav in pw.x Yantao Wu
• 2013/05/28 [Pw_forum] Relax output Yantao Wu
• 2013/05/27 [Pw_forum] Relax output Andrei Malashevich
• 2013/05/27 [Pw_forum] Relax output Yantao Wu
• 2013/05/27 [Pw_forum] restart_mode Paolo Giannozzi
• 2013/05/27 [Pw_forum] restart_mode Giuseppe Mattioli
• 2013/05/27 [Pw_forum] restart_mode Sakhrawi Taoufek
• 2013/05/26 [Pw_forum] K-point convergence help Nicola Marzari
• 2013/05/25 [Pw_forum] K-point convergence help Ben Palmer
• 2013/05/25 [Pw_forum] K-point convergence help Abolore Musari
• 2013/05/25 [Pw_forum] K-point convergence help Ben Palmer
• 2013/05/24 [Pw_forum] lambda.x crash 李晓川
• 2013/05/24 [Pw_forum] lambda.x crash Paolo Giannozzi
• 2013/05/24 [Pw_forum] parallelization Paolo Giannozzi
• 2013/05/24 [Pw_forum] VdW for open shell systems Giuseppe Mattioli
• 2013/05/24 [Pw_forum] lambda.x crash yelena
• 2013/05/24 [Pw_forum] cell dm (1) for (8,0) nanotube Lorenzo Paulatto
• 2013/05/23 [Pw_forum] cell dm (1) for (8,0) nanotube Banafshe Noori
• 2013/05/23 [Pw_forum] parallelization vijaya subramanian
• 2013/05/23 [Pw_forum] errors in *.err files Paolo Giannozzi
• 2013/05/23 [Pw_forum] errors in *.err files Goranka Bilalbegovic
• 2013/05/23 [Pw_forum] dyn file is empty for IR calculation Paolo Giannozzi
• 2013/05/23 [Pw_forum] Reg: How to find melting point Paolo Giannozzi
• 2013/05/23 [Pw_forum] lambda.x crash Paolo Giannozzi
• 2013/05/23 [Pw_forum] Zn 20 electrons pseudopotential Bruno Camino
• 2013/05/23 [Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero. xirainbow
• 2013/05/23 [Pw_forum] lambda.x crash yelena
• 2013/05/23 [Pw_forum] lambda.x crash Miao Gao
• 2013/05/23 [Pw_forum] electron phonon coupling Satyananda Chab
• 2013/05/23 [Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found Giuseppe Mattioli
• 2013/05/22 [Pw_forum] Reg: How to find melting point Peram sreenivasa reddy
• 2013/05/22 [Pw_forum] Reg: How to find melting point 李晓川
• 2013/05/22 [Pw_forum] (no subject) Banafshe Noori
• 2013/05/22 [Pw_forum] Reg: How to find melting point Peram sreenivasa reddy
• 2013/05/22 [Pw_forum] Three three-year postdoctoral positions on modelling functional energy materials Filippo Spiga
• 2013/05/22 [Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero. Yong Xue
• 2013/05/22 [Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found Yong Xue
• 2013/05/22 [Pw_forum] Modelling a 4-system high entropy alloy Zhao Y Leong
• 2013/05/22 [Pw_forum] Fwd: Atoms are missing in the pdos output Paolo Giannozzi
• 2013/05/22 [Pw_forum] Fwd: Atoms are missing in the pdos output Abhishek Mishra
• 2013/05/22 [Pw_forum] lambda.x crash [email protected]
• 2013/05/22 [Pw_forum] lambda.x crash [email protected]
• 2013/05/22 [Pw_forum] lambda.x crash yelena
• 2013/05/21 [Pw_forum] symmetry in wannier ding
• 2013/05/21 [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge Alexey Akimov
• 2013/05/21 [Pw_forum] Installation problem Yantao Wu
• 2013/05/21 [Pw_forum] Installation problem Ben Palmer
• 2013/05/21 [Pw_forum] Installation problem Axel Kohlmeyer
• 2013/05/21 [Pw_forum] Installation problem Surender
• 2013/05/21 [Pw_forum] Installation problem Ben Palmer
• 2013/05/21 [Pw_forum] Installation problem Ben Palmer
• 2013/05/21 [Pw_forum] Installation problem Surender
• 2013/05/21 [Pw_forum] Installation problem Axel Kohlmeyer
• 2013/05/21 [Pw_forum] Installation problem Yantao Wu
• 2013/05/21 [Pw_forum] Installation problem Axel Kohlmeyer
• 2013/05/21 [Pw_forum] Installation problem Yantao Wu
• 2013/05/21 [Pw_forum] (no subject) Paolo Giannozzi
• 2013/05/21 [Pw_forum] the problem about phonon band calculation 李晓川
• 2013/05/21 [Pw_forum] How to add an electric field Paolo Giannozzi
• 2013/05/21 [Pw_forum] alat and cell parameter Gabriele Sclauzero
• 2013/05/21 [Pw_forum] the problem about phonon band calculation Ben Palmer
• 2013/05/21 [Pw_forum] the problem about phonon band calculation 李晓川
• 2013/05/21 [Pw_forum] Zn 20 electrons pseudopotential Vinay Hegde
• 2013/05/21 [Pw_forum] Zn 20 electrons pseudopotential Giuseppe Mattioli
• 2013/05/21 [Pw_forum] Zn 20 electrons pseudopotential Paolo Giannozzi
• 2013/05/21 [Pw_forum] the problem about phonon band calculation Paolo Giannozzi
• 2013/05/21 [Pw_forum] Zn 20 electrons pseudopotential Bruno Camino
• 2013/05/20 [Pw_forum] Installation problem Yantao Wu
• 2013/05/20 [Pw_forum] the problem about phonon band calculation 李晓川
• 2013/05/20 [Pw_forum] Installation problem Surender
• 2013/05/20 [Pw_forum] Installation problem Yantao Wu
• 2013/05/20 [Pw_forum] Installation problem Paolo Giannozzi
• 2013/05/20 [Pw_forum] Installation problem Lorenzo Paulatto
• 2013/05/20 [Pw_forum] Installation problem Yantao Wu
• 2013/05/20 [Pw_forum] Installation problem Surender
• 2013/05/20 [Pw_forum] Installation problem Yantao Wu
• 2013/05/20 [Pw_forum] Dispersion_correction parameter for Platinum Giuseppe Mattioli
• 2013/05/20 [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization zafar rasheed
• 2013/05/20 [Pw_forum] Dispersion_correction parameter for Platinum Martin Andersson
• 2013/05/20 [Pw_forum] Dispersion_correction parameter for Platinum Giuseppe Mattioli
• 2013/05/20 [Pw_forum] Dispersion_correction parameter for Platinum Pallavi Bothra
• 2013/05/20 [Pw_forum] effect of the vacum thickness on the dielectric constants Luo Xin (IHPC)
• 2013/05/19 [Pw_forum] effect of the vacum thickness on the dielectric constants Paolo Giannozzi
• 2013/05/19 [Pw_forum] How to add an electric field [email protected]
• 2013/05/19 [Pw_forum] (no subject) Banafshe Noori
• 2013/05/19 [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization Paolo Giannozzi
• 2013/05/18 [Pw_forum] fft 3D [email protected]
• 2013/05/18 [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization Nicola Marzari
• 2013/05/18 [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization Dongsheng Zhang
• 2013/05/18 [Pw_forum] alat and cell parameter Dongsheng Zhang
• 2013/05/18 [Pw_forum] effect of the vacum thickness on the dielectric constants Luo Xin (IHPC)
• 2013/05/18 [Pw_forum] the problem about phonon band calculation 李晓川
• 2013/05/18 [Pw_forum] phonon bandstructure Paolo Giannozzi
• 2013/05/18 [Pw_forum] fft 3D Paolo Giannozzi
• 2013/05/18 [Pw_forum] Random phase approximation Prasenjit Ghosh
• 2013/05/17 [Pw_forum] phonon bandstructure Mansoureh Pashangpour
• 2013/05/17 [Pw_forum] fft 3D Fang Liu
• 2013/05/17 [Pw_forum] alat and cell parameter Paolo Giannozzi
• 2013/05/17 [Pw_forum] fft 3D Paolo Giannozzi
• 2013/05/17 [Pw_forum] alat and cell parameter Dongsheng Zhang
• 2013/05/17 [Pw_forum] fft 3D Andrei Malashevich
• 2013/05/17 [Pw_forum] Re Banafshe Noori
• 2013/05/17 [Pw_forum] fft 3D Gabriele Sclauzero
• 2013/05/17 [Pw_forum] fft 3D Paolo Giannozzi
• 2013/05/17 [Pw_forum] fft 3D Lorenzo Paulatto
• 2013/05/16 [Pw_forum] phonon bandstructure Oleg Sergeev
• 2013/05/16 [Pw_forum] ”wrong representation“ from ”set_irr_sym“ xirainbow
• 2013/05/16 [Pw_forum] fft 3D Andrei Malashevich
• 2013/05/16 [Pw_forum] error with GIPAW calculation, stops reading at Computing the magnetic susceptibility , k-point # 1 of 1 pool # 1 Yong Xue
• 2013/05/16 [Pw_forum] GIPAW calculation: from davcio : error # 10, error while reading from file Yong Xue
• 2013/05/16 [Pw_forum] fft 3D Lorenzo Paulatto
• 2013/05/16 [Pw_forum] fft 3D Fang Liu
• 2013/05/16 [Pw_forum] fft 3D Andrei Malashevich
• 2013/05/16 [Pw_forum] fft 3D Fang Liu
• 2013/05/16 [Pw_forum] phonon bandstructure Mansoureh Pashangpour
• 2013/05/16 [Pw_forum] fft 3D Paolo Giannozzi
• 2013/05/16 [Pw_forum] Fwd: Error in restarting a ph.x job Paolo Giannozzi
• 2013/05/16 [Pw_forum] scf calculation stops at starting wfc ... Paolo Giannozzi
• 2013/05/16 [Pw_forum] (no subject) ramzi alaya
• 2013/05/16 [Pw_forum] (no subject) ramzi alaya
• 2013/05/16 [Pw_forum] Fwd: Error in restarting a ph.x job Hongze Xia
• 2013/05/16 [Pw_forum] phonon bandstructure Ali Tavana
• 2013/05/16 [Pw_forum] phonon bandstructure Mansoureh Pashangpour
• 2013/05/15 [Pw_forum] scf calculation stops at starting wfc ... mohnish pandey
• 2013/05/15 [Pw_forum] scf calculation stops at starting wfc ... Jia Chen
• 2013/05/15 [Pw_forum] fft 3D Fang Liu
• 2013/05/15 [Pw_forum] scf calculation stops at starting wfc ... Yong Xue
• 2013/05/14 [Pw_forum] Fermi Energy of Cu Lorenzo Paulatto
• 2013/05/14 [Pw_forum] Details of partial density of states calculation Lorenzo Paulatto
• 2013/05/14 [Pw_forum] Fermi Energy of Cu Jennifer Wohlwend
• 2013/05/14 [Pw_forum] Details of partial density of states calculation Holzwarth, Natalie
• 2013/05/14 [Pw_forum] Fermi Energy of Cu Duy Le
• 2013/05/14 [Pw_forum] Fermi Energy of Cu Jennifer Wohlwend
• 2013/05/14 [Pw_forum] QE-forge Paolo Giannozzi
• 2013/05/14 [Pw_forum] Details of partial density of states calculation Stefano de Gironcoli
• 2013/05/13 [Pw_forum] Details of partial density of states calculation Holzwarth, Natalie
• 2013/05/13 [Pw_forum] Details of partial density of states calculation Lorenzo Paulatto
• 2013/05/13 [Pw_forum] dyn file is empty for IR calculation Yong Xue
• 2013/05/12 [Pw_forum] Error in restarting a ph.x job Hongze Xia
• 2013/05/12 [Pw_forum] Van Voorhis spin polarized van der Waals functional Prasenjit Ghosh

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