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[Pw_forum] A few questions about MD simulations
Paolo Giannozzi
[Pw_forum] A few questions about MD simulations
Mike Marchywka
[Pw_forum] A few questions about MD simulations
Paolo Giannozzi
[Pw_forum] A few questions about MD simulations
Robert Hembree
[Pw_forum] A few questions about MD simulations
Paolo Giannozzi
[Pw_forum] A few questions about MD simulations
Axel Kohlmeyer
[Pw_forum] A few questions about MD simulations
Mike Marchywka
[Pw_forum] What is the function of "drho_e" file?
xirainbow
[Pw_forum] bader analysis
Sakhrawi Taoufek
[Pw_forum] bader analysis
Ari P Seitsonen
[Pw_forum] bader analysis
Axel Kohlmeyer
[Pw_forum] bader analysis
Giovanni La Penna
[Pw_forum] bader analysis
Giuseppe Mattioli
[Pw_forum] bader analysis
Sakhrawi Taoufek
[Pw_forum] bader analysis
Giuseppe Mattioli
[Pw_forum] bader analysis
Prasenjit Ghosh
[Pw_forum] phonon calculation with no convergence
moonf...@mail.sdu.edu.cn
[Pw_forum] phonon calculation with no convergence
Sanjeev Gupta
[Pw_forum] phonon calculation with no convergence
Peram sreenivasa reddy
[Pw_forum] "Raman activities" do not converge
xirainbow
[Pw_forum] "Raman activities" do not converge
Sanjeev Gupta
[Pw_forum] "Raman activities" do not converge
Paolo Giannozzi
[Pw_forum] "Raman activities" do not converge
xirainbow
[Pw_forum] "Raman activities" do not converge
Lorenzo Paulatto
[Pw_forum] "Raman activities" do not converge
xirainbow
[Pw_forum] "Raman activities" do not converge
xirainbow
[Pw_forum] "Raman activities" do not converge
xirainbow
[Pw_forum] *.save non existent or non writable
Sakhrawi Taoufek
[Pw_forum] *.save non existent or non writable
Sakhrawi Taoufek
[Pw_forum] *.save non existent or non writable
Axel Kohlmeyer
[Pw_forum] Getting NaN values in QHA calculations
Peram sreenivasa reddy
[Pw_forum] Getting NaN values in QHA calculations
Sanjeev Gupta
[Pw_forum] Local pseudopotential
Yuning Wu
[Pw_forum] Convergence issues
Yantao Wu
[Pw_forum] Convergence issues
Paolo Giannozzi
[Pw_forum] Convergence issues
Yantao Wu
[Pw_forum] Convergence issues
Paolo Giannozzi
[Pw_forum] Convergence issues
Yantao Wu
[Pw_forum] The new GPU-version QE
Chengyang Li
[Pw_forum] The new GPU-version QE
yelena
[Pw_forum] The new GPU-version QE
Chengyang Li
[Pw_forum] The new GPU-version QE
Filippo Spiga
[Pw_forum] The new GPU-version QE
Chengyang Li
[Pw_forum] primitive cell for slab calc
vijaya subramanian
[Pw_forum] primitive cell for slab calc
Sanjeev Gupta
[Pw_forum] error while running pw4gww.x
Anjali Singh
[Pw_forum] error while running pw4gww.x
Paolo Giannozzi
[Pw_forum] Fwd: error while running pw4gww.x
Anjali Singh
[Pw_forum] Fwd: error while running pw4gww.x
Vinay Hegde
[Pw_forum] Questions on ibrav in pw.x
Yantao Wu
[Pw_forum] Questions on ibrav in pw.x
mohnish pandey
[Pw_forum] Questions on ibrav in pw.x
Axel Kohlmeyer
[Pw_forum] Questions on ibrav in pw.x
Yantao Wu
[Pw_forum] Relax output
Yantao Wu
[Pw_forum] Relax output
Andrei Malashevich
[Pw_forum] Relax output
Yantao Wu
[Pw_forum] restart_mode
Sakhrawi Taoufek
[Pw_forum] restart_mode
Giuseppe Mattioli
[Pw_forum] restart_mode
Paolo Giannozzi
[Pw_forum] K-point convergence help
Ben Palmer
[Pw_forum] K-point convergence help
Abolore Musari
[Pw_forum] K-point convergence help
Ben Palmer
[Pw_forum] K-point convergence help
Nicola Marzari
[Pw_forum] VdW for open shell systems
Giuseppe Mattioli
[Pw_forum] cell dm (1) for (8,0) nanotube
Banafshe Noori
[Pw_forum] cell dm (1) for (8,0) nanotube
Lorenzo Paulatto
[Pw_forum] parallelization
vijaya subramanian
[Pw_forum] parallelization
Paolo Giannozzi
[Pw_forum] Parallelization
vijaya subramanian
[Pw_forum] Parallelization
Duy Le
[Pw_forum] Parallelization
vijaya subramanian
[Pw_forum] Parallelization
Paolo Giannozzi
[Pw_forum] Parallelization
vijaya subramanian
[Pw_forum] errors in *.err files
Goranka Bilalbegovic
[Pw_forum] errors in *.err files
Paolo Giannozzi
[Pw_forum] electron phonon coupling
Satyananda Chab
[Pw_forum] Reg: How to find melting point
Peram sreenivasa reddy
[Pw_forum] Reg: How to find melting point
李晓川
[Pw_forum] Reg: How to find melting point
Peram sreenivasa reddy
[Pw_forum] Reg: How to find melting point
Paolo Giannozzi
[Pw_forum] Three three-year postdoctoral positions on modelling functional energy materials
Filippo Spiga
[Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero.
Yong Xue
[Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero.
xirainbow
[Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found
Yong Xue
[Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found
Giuseppe Mattioli
[Pw_forum] Modelling a 4-system high entropy alloy
Zhao Y Leong
[Pw_forum] Fwd: Atoms are missing in the pdos output
Abhishek Mishra
[Pw_forum] Fwd: Atoms are missing in the pdos output
Paolo Giannozzi
[Pw_forum] lambda.x crash
yelena
[Pw_forum] lambda.x crash
feng.zi...@ireq.ca
[Pw_forum] lambda.x crash
feng.zi...@ireq.ca
[Pw_forum] lambda.x crash
Paolo Giannozzi
[Pw_forum] lambda.x crash
yelena
[Pw_forum] lambda.x crash
Paolo Giannozzi
[Pw_forum] lambda.x crash
李晓川
[Pw_forum] lambda.x crash
Miao Gao
[Pw_forum] lambda.x crash
yelena
[Pw_forum] symmetry in wannier
ding
[Pw_forum] reusing wfc/charge density for nscf calculation with different total charge
Alexey Akimov
[Pw_forum] reusing wfc/charge density for nscf calculation with different total charge
Paolo Giannozzi
[Pw_forum] reusing wfc/charge density for nscf calculation with different total charge
Alexey Akimov
[Pw_forum] reusing wfc/charge density for nscf calculation with different total charge
Giuseppe Mattioli
[Pw_forum] reusing wfc/charge density for nscf calculation with different total charge
Alexey Akimov
[Pw_forum] Zn 20 electrons pseudopotential
Bruno Camino
[Pw_forum] Zn 20 electrons pseudopotential
Paolo Giannozzi
[Pw_forum] Zn 20 electrons pseudopotential
Vinay Hegde
[Pw_forum] Zn 20 electrons pseudopotential
Giuseppe Mattioli
[Pw_forum] Zn 20 electrons pseudopotential
Bruno Camino
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Surender
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Lorenzo Paulatto
[Pw_forum] Installation problem
Paolo Giannozzi
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Surender
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Axel Kohlmeyer
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Axel Kohlmeyer
[Pw_forum] Installation problem
Ben Palmer
[Pw_forum] Installation problem
Ben Palmer
[Pw_forum] Installation problem
Axel Kohlmeyer
[Pw_forum] Installation problem
Ben Palmer
[Pw_forum] Installation problem
Yantao Wu
[Pw_forum] Installation problem
Surender
[Pw_forum] Installation problem
Surender
[Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization
zafar rasheed
[Pw_forum] Dispersion_correction parameter for Platinum
Pallavi Bothra
[Pw_forum] Dispersion_correction parameter for Platinum
Giuseppe Mattioli
[Pw_forum] Dispersion_correction parameter for Platinum
Martin Andersson
[Pw_forum] Dispersion_correction parameter for Platinum
Giuseppe Mattioli
[Pw_forum] How to add an electric field
moonf...@mail.sdu.edu.cn
[Pw_forum] How to add an electric field
Paolo Giannozzi
[Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization
Dongsheng Zhang
[Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization
Nicola Marzari
[Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization
Paolo Giannozzi
[Pw_forum] effect of the vacum thickness on the dielectric constants
Luo Xin (IHPC)
[Pw_forum] effect of the vacum thickness on the dielectric constants
Paolo Giannozzi
[Pw_forum] effect of the vacum thickness on the dielectric constants
Luo Xin (IHPC)
[Pw_forum] the problem about phonon band calculation
李晓川
[Pw_forum] the problem about phonon band calculation
李晓川
[Pw_forum] the problem about phonon band calculation
Paolo Giannozzi
[Pw_forum] the problem about phonon band calculation
李晓川
[Pw_forum] the problem about phonon band calculation
Ben Palmer
[Pw_forum] the problem about phonon band calculation
李晓川
[Pw_forum] Random phase approximation
Prasenjit Ghosh
[Pw_forum] alat and cell parameter
Dongsheng Zhang
[Pw_forum] alat and cell parameter
Paolo Giannozzi
[Pw_forum] alat and cell parameter
Dongsheng Zhang
[Pw_forum] alat and cell parameter
Gabriele Sclauzero
[Pw_forum] ”wrong representation“ from ”set_irr_sym“
xirainbow
[Pw_forum] error with GIPAW calculation, stops reading at Computing the magnetic susceptibility , k-point # 1 of 1 pool # 1
Yong Xue
[Pw_forum] GIPAW calculation: from davcio : error # 10, error while reading from file
Yong Xue
[Pw_forum] phonon bandstructure
Mansoureh Pashangpour
[Pw_forum] phonon bandstructure
Ali Tavana
[Pw_forum] phonon bandstructure
Mansoureh Pashangpour
[Pw_forum] phonon bandstructure
Oleg Sergeev
[Pw_forum] phonon bandstructure
Mansoureh Pashangpour
[Pw_forum] phonon bandstructure
Paolo Giannozzi
[Pw_forum] fft 3D
Fang Liu
[Pw_forum] fft 3D
Paolo Giannozzi
[Pw_forum] fft 3D
Fang Liu
[Pw_forum] fft 3D
Andrei Malashevich
[Pw_forum] fft 3D
Fang Liu
[Pw_forum] fft 3D
Lorenzo Paulatto
[Pw_forum] fft 3D
Andrei Malashevich
[Pw_forum] fft 3D
Lorenzo Paulatto
[Pw_forum] fft 3D
Paolo Giannozzi
[Pw_forum] fft 3D
Andrei Malashevich
[Pw_forum] fft 3D
Gabriele Sclauzero
[Pw_forum] fft 3D
Paolo Giannozzi
[Pw_forum] fft 3D
Fang Liu
[Pw_forum] fft 3D
Paolo Giannozzi
[Pw_forum] fft 3D
cufe.f...@gmail.com
[Pw_forum] scf calculation stops at starting wfc ...
Yong Xue
[Pw_forum] scf calculation stops at starting wfc ...
Jia Chen
[Pw_forum] scf calculation stops at starting wfc ...
mohnish pandey
[Pw_forum] scf calculation stops at starting wfc ...
Paolo Giannozzi
[Pw_forum] QE-forge
Paolo Giannozzi
[Pw_forum] Fermi Energy of Cu
Jennifer Wohlwend
[Pw_forum] Fermi Energy of Cu
Duy Le
[Pw_forum] Fermi Energy of Cu
Jennifer Wohlwend
[Pw_forum] Fermi Energy of Cu
Lorenzo Paulatto
[Pw_forum] dyn file is empty for IR calculation
Yong Xue
[Pw_forum] dyn file is empty for IR calculation
Paolo Giannozzi
[Pw_forum] Error in restarting a ph.x job
Hongze Xia
[Pw_forum] Fwd: Error in restarting a ph.x job
Hongze Xia
[Pw_forum] Fwd: Error in restarting a ph.x job
Paolo Giannozzi
[Pw_forum] Van Voorhis spin polarized van der Waals functional
Prasenjit Ghosh
[Pw_forum] Call for Proposals for DECI-11 (Tier-1)
Filippo Spiga
[Pw_forum] gap width in dos and band
shiva mokhavat
[Pw_forum] gap width in dos and band
xirainbow
[Pw_forum] gap width in dos and band
shiva mokhavat
[Pw_forum] Fwd: qustion
Lorenzo Donà
[Pw_forum] qustion
Filippo Spiga
[Pw_forum] Regarding symmetry
mohaddeseh abbasnejad
[Pw_forum] Regarding symmetry
Paolo Giannozzi
[Pw_forum] Regarding symmetry
mohaddeseh abbasnejad
[Pw_forum] Carbon nanotube
Mahmoud Hammouri
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