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[Pw_forum] non-existed variables
Paolo Giannozzi
[Pw_forum] non-existed variables
Ruibin Liu
[Pw_forum] non-existed variables
Paolo Giannozzi
[Pw_forum] thanks
Nyaruanda Calvince
[Pw_forum] find out
Nyaruanda Calvince
[Pw_forum] find out
Guido Fratesi
[Pw_forum] Gamma point algorithm
mahdi Davari
[Pw_forum] Difference in implementation in matdyn.x between versions 4.2.1 and 5.0.0?
Matthijs Mentink
[Pw_forum] Difference in implementation in matdyn.x between versions 4.2.1 and 5.0.0?
Paolo Giannozzi
[Pw_forum] cp.x output: .pos
xiaochuan Ge
[Pw_forum] cp.x output: .pos
Paolo Giannozzi
[Pw_forum] cp.x output: .pos
Paolo Giannozzi
[Pw_forum] cp.x output: .pos
Paolo Giannozzi
[Pw_forum] cp.x output: .pos
Paolo Giannozzi
[Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs (Axel Kohlmeyer)
Cristian Degli Esposti Boschi
[Pw_forum] equilibrium lattice constant of magnetite
Abolore Musari
[Pw_forum] equilibrium lattice constant of magnetite
jia chen
[Pw_forum] equilibrium lattice constant of magnetite
Abolore Musari
[Pw_forum] equilibrium lattice constant of magnetite
Jia Chen
[Pw_forum] equilibrium lattice constant of magnetite
bamidele ibrahim
[Pw_forum] equilibrium lattice constant of magnetite
Abolore Musari
[Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs
Cristian Degli Esposti Boschi
[Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs
Axel Kohlmeyer
[Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs
Axel Kohlmeyer
[Pw_forum] negative a2f(w) DOS
Peng Tao
[Pw_forum] DCFT3 : 2538-2605 error when performing q2r.x
Jiseok Kim
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Axel Kohlmeyer
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Axel Kohlmeyer
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Axel Kohlmeyer
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Axel Kohlmeyer
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Stefano Baroni
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
[Pw_forum] installation
Sohail Ahmad
[Pw_forum] installation
Abolore Musari
[Pw_forum] installation
Axel Kohlmeyer
[Pw_forum] Installation
Sohail Ahmad
[Pw_forum] Installation
rauleg
[Pw_forum] Installation
Paolo Giannozzi
[Pw_forum] output format of d3.x
Bramha Pandey
[Pw_forum] not existed variables
Ruibin Liu
[Pw_forum] not existed variables
Ruibin Liu
[Pw_forum] Illegal instruction
Ruibin Liu
[Pw_forum] Illegal instruction
Axel Kohlmeyer
[Pw_forum] some variables in QE
Ruibin Liu
[Pw_forum] plotrho.x refuses plotting charge !
Masoud
[Pw_forum] plotrho.x refuses plotting charge !
Paolo Giannozzi
[Pw_forum] from frc_blk : error #
Sanjeev Gupta
[Pw_forum] from frc_blk : error #
Stefano de Gironcoli
[Pw_forum] vdW_kernel_table
bf azi
[Pw_forum] vdW_kernel_table
Stefano de Gironcoli
[Pw_forum] vdW_kernel_table
Lorenzo Paulatto
[Pw_forum] problem of Tc calculation in electron phonon coefficents
bhabya sahoo
[Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents
bhabya sahoo
[Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents
bhabya sahoo
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
[Pw_forum] How to create a new pseudo potential with virtual.x?
Axel Kohlmeyer
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
[Pw_forum] How to create a new pseudo potential with virtual.x?
GAO Zhe
[Pw_forum] How to create a new pseudo potential with virtual.x?
Nicola Marzari
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
[Pw_forum] MD restart algorithm in Quantum Espresso
Alexey Akimov
[Pw_forum] MD restart algorithm in Quantum Espresso
Paolo Giannozzi
[Pw_forum] MD restart algorithm in Quantum Espresso
Alexey Akimov
[Pw_forum] MD restart algorithm in Quantum Espresso
Axel Kohlmeyer
[Pw_forum] MD restart algorithm in Quantum Espresso
Alexey Akimov
[Pw_forum] MD restart algorithm in Quantum Espresso
Paolo Giannozzi
[Pw_forum] Hirshfeld Charges
Gulcin Kucukdalyan
[Pw_forum] Hirshfeld Charges
Sonu Kumar
[Pw_forum] Hirshfeld Charges
Axel Kohlmeyer
[Pw_forum] Hirshfeld Charges
Stefano de Gironcoli
[Pw_forum] hibrid functionals
Adriano Mosca Conte
[Pw_forum] hibrid functionals
Paolo Giannozzi
[Pw_forum] strange DOS for an antiferromagnetic system
mojdeh akhavan
[Pw_forum] band vs plotband output.
Davide Tiana
[Pw_forum] Force constant from short range and long range interaction
mayank gupta
[Pw_forum] BAD TERMINATION
Amir hosseini
[Pw_forum] BAD TERMINATION
Duy Le
[Pw_forum] LDA contribution
bf azi
[Pw_forum] LDA contribution
Axel Kohlmeyer
[Pw_forum] Error in QHA calculations
DENIS MAGERO
[Pw_forum] Error in QHA calculations
bramha pandey
[Pw_forum] Error in QHA calculations
zafar rasheed
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
[Pw_forum] Error while compiling Quantum Espresso
Lorenzo Paulatto
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
[Pw_forum] error while compiling quantum espresso
zafar rasheed
[Pw_forum] error while compiling quantum espresso
zafar rasheed
[Pw_forum] Types of pseudopotentials
zafar rasheed
[Pw_forum] Types of pseudopotentials
bramha pandey
[Pw_forum] Running QHA calculations for orthorhombic structure
Kondaiah Samudrala
[Pw_forum] Running QHA calculations for orthorhombic structure
bramha pandey
[Pw_forum] Reminder: csaty...@gmail.com wants to follow you
csaty...@gmail.com
[Pw_forum] MoS2 -monolayer input -
Sohail Ahmad
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
[Pw_forum] Error while compiling Quantum Espresso
Lorenzo Paulatto
[Pw_forum] pw91 pseudopotential for Se
Sohail Ahmad
[Pw_forum] pw91 pseudopotential for Se
bramha pandey
[Pw_forum] two conflicting
bf azi
[Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF
Derek Stewart
[Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF
Lorenzo Paulatto
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] U calculation error
Matteo Cococcioni
[Pw_forum] U calculation error
Peng Chen
[Pw_forum] Bug in PW/pw_readfile
Iurii TIMROV
[Pw_forum] Bug in PW/pw_readfile
Andrea Dal Corso
[Pw_forum] convergence problem for charged simulation cell
Alexey Akimov
[Pw_forum] plotrho and atom core !
m
[Pw_forum] release espresso 5.0.1
Layla Martin-Samos
[Pw_forum] read out settings for ld1.x run from UPF-file
Cheng-chau Chiu
[Pw_forum] read out settings for ld1.x run from UPF-file
Giuseppe Mattioli
[Pw_forum] read out settings for ld1.x run from UPF-file
Paolo Giannozzi
[Pw_forum] k points weights
Sohail Ahmad
[Pw_forum] k points weights
Axel Kohlmeyer
[Pw_forum] k points weights
Thaneshwor Kaloni
[Pw_forum] k points weights
Davide Tiana
[Pw_forum] k points weights
Franklin Zhan
[Pw_forum] k points weights
Paolo Giannozzi
[Pw_forum] vc-md_NOT-STOP
Ranber Thakur
[Pw_forum] vc-md_NOT-STOP
Paolo Giannozzi
[Pw_forum] vc-md_NOT-STOP
Ranber Thakur
[Pw_forum] reg: pseudopotential
Swetarekha Ram
[Pw_forum] reg: pseudopotential
mohnish pandey
[Pw_forum] Postdoc Position at UCLA Chemistry
Jin Zhang
[Pw_forum] Force constant fron ionic long range part
mayank
[Pw_forum] QE installation on standard HPC machines.
Emine Kucukbenli
[Pw_forum] parallelization of phonon calculations
Torstein Fjermestad
[Pw_forum] parallelization of phonon calculations
Paolo Giannozzi
[Pw_forum] parallelization of phonon calculations
Torstein Fjermestad
[Pw_forum] parallelization of phonon calculations
William Parker
[Pw_forum] parallelization of phonon calculations
Paolo Giannozzi
[Pw_forum] parallelization of phonon calculations
William Parker
[Pw_forum] Problem on runing espresso-4.3.2
Mahdi Faghih nasiri
[Pw_forum] Problem on runing espresso-4.3.2
Paolo Giannozzi
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Filipe Camargo Dalmatti Alves Lima
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Giuseppe Mattioli
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Paolo Giannozzi
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
naz...@iasbs.ac.ir
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Giuseppe Mattioli
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Carlo Nervi
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Filipe Camargo Dalmatti Alves Lima
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
[Pw_forum] RE Problem with epsilon.x
sylvian kahane
[Pw_forum] error in DGETRF during generation of pseudopotential
bamidele ibrahim
[Pw_forum] dipol correction in slab model calculations
Cheng-chau Chiu
[Pw_forum] dipol correction in slab model calculations
Guido Fratesi
[Pw_forum] Problem with epsilon.x
Bohdan Andriyevskyy
[Pw_forum] Problem with epsilon.x
Paolo Giannozzi
[Pw_forum] Wrong representation in 5.0
Davide Ceresoli
[Pw_forum] Wrong representation in 5.0
Lorenzo Paulatto
[Pw_forum] Gamma-point tricks
henry odhiambo
[Pw_forum] Etot in cp.x vs pw.x
sylvian
[Pw_forum] Etot in cp.x vs pw.x
Stefano de Gironcoli
[Pw_forum] Etot in cp.x vs pw.x
Paolo Giannozzi
[Pw_forum] Etot in cp.x vs pw.x
Lorenzo Paulatto
[Pw_forum] Etot in cp.x vs pw.x
sylvian kahane
[Pw_forum] Etot in cp.x vs pw.x
Simon Binnie
[Pw_forum] Gamm-point tricks
henry odhiambo
[Pw_forum] Gamm-point tricks
Duy Le
[Pw_forum] Gamm-point tricks
bramha pandey
[Pw_forum] Gamm-point tricks
Giuseppe Mattioli
[Pw_forum] Relax in primitive cell or conventional cell
Peng Chen
[Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x
Peng Tao
[Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x
Peng Tao
[Pw_forum] atomic projection in the band structure
Hanghui Chen
[Pw_forum] atomic projection in the band structure
Paolo Giannozzi
[Pw_forum] atomic projection in the band structure
程迎春
[Pw_forum] atomic projection in the band structure
Guido Fratesi
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
[Pw_forum] Wrong frequencies on STO phonons
Andrea Dal Corso
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
[Pw_forum] Non collinear calculation
Niharika Joshi
[Pw_forum] relaxed structure output
mayank gupta
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