pw_forum
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2012/08/06
[Pw_forum] negative a2f(w) DOS
Peng Tao
2012/08/05
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Axel Kohlmeyer
2012/08/05
[Pw_forum] DCFT3 : 2538-2605 error when performing q2r.x
Jiseok Kim
2012/08/05
[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?
Yue-Wen Fang
2012/08/05
[Pw_forum] installation
Sohail Ahmad
2012/08/05
[Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents
bhabya sahoo
2012/08/05
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
2012/08/05
[Pw_forum] optical properties
GAO Zhe
2012/08/05
[Pw_forum] optical properties
Sohail Ahmad
2012/08/05
[Pw_forum] output format of d3.x
Bramha Pandey
2012/08/04
[Pw_forum] How to create a new pseudo potential with virtual.x?
Nicola Marzari
2012/08/04
[Pw_forum] How to create a new pseudo potential with virtual.x?
GAO Zhe
2012/08/02
[Pw_forum] Illegal instruction
Axel Kohlmeyer
2012/08/02
[Pw_forum] not existed variables
Ruibin Liu
2012/08/02
[Pw_forum] not existed variables
Ruibin Liu
2012/08/02
[Pw_forum] Illegal instruction
Ruibin Liu
2012/08/02
[Pw_forum] some variables in QE
Ruibin Liu
2012/08/02
[Pw_forum] plotrho.x refuses plotting charge !
Masoud
2012/08/02
[Pw_forum] from frc_blk : error #
Stefano de Gironcoli
2012/08/01
[Pw_forum] from frc_blk : error #
Sanjeev Gupta
2012/08/01
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
2012/08/01
[Pw_forum] error while compiling quantum espresso
zafar rasheed
2012/08/01
[Pw_forum] error while compiling quantum espresso
zafar rasheed
2012/08/01
[Pw_forum] vdW_kernel_table
Lorenzo Paulatto
2012/08/01
[Pw_forum] vdW_kernel_table
Stefano de Gironcoli
2012/08/01
[Pw_forum] vdW_kernel_table
bf azi
2012/08/01
[Pw_forum] hibrid functionals
Adriano Mosca Conte
2012/08/01
[Pw_forum] Hirshfeld Charges
Stefano de Gironcoli
2012/07/31
[Pw_forum] Hirshfeld Charges
Axel Kohlmeyer
2012/07/31
[Pw_forum] How to create a new pseudo potential with virtual.x?
Axel Kohlmeyer
2012/07/31
[Pw_forum] Hirshfeld Charges
Sonu Kumar
2012/07/31
[Pw_forum] problem of Tc calculation in electron phonon coefficents
bhabya sahoo
2012/07/31
[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
2012/07/31
[Pw_forum] MD restart algorithm in Quantum Espresso
Alexey Akimov
2012/07/31
[Pw_forum] Hirshfeld Charges
Gulcin Kucukdalyan
2012/07/31
[Pw_forum] Error in QHA calculations
zafar rasheed
2012/07/31
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
2012/07/31
[Pw_forum] strange DOS for an antiferromagnetic system
mojdeh akhavan
2012/07/30
[Pw_forum] U calculation error
Peng Chen
2012/07/30
[Pw_forum] band vs plotband output.
Davide Tiana
2012/07/30
[Pw_forum] Force constant from short range and long range interaction
mayank gupta
2012/07/30
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/30
[Pw_forum] BAD TERMINATION
Duy Le
2012/07/30
[Pw_forum] Running QHA calculations for orthorhombic structure
bramha pandey
2012/07/30
[Pw_forum] BAD TERMINATION
Amir hosseini
2012/07/30
[Pw_forum] Error in QHA calculations
bramha pandey
2012/07/30
[Pw_forum] LDA contribution
Axel Kohlmeyer
2012/07/30
[Pw_forum] LDA contribution
bf azi
2012/07/30
[Pw_forum] Error while compiling Quantum Espresso
Lorenzo Paulatto
2012/07/30
[Pw_forum] Error in QHA calculations
DENIS MAGERO
2012/07/29
[Pw_forum] U calculation error
Peng Chen
2012/07/29
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/29
[Pw_forum] U calculation error
Peng Chen
2012/07/29
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/29
[Pw_forum] U calculation error
Peng Chen
2012/07/29
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/29
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
2012/07/29
[Pw_forum] Types of pseudopotentials
bramha pandey
2012/07/29
[Pw_forum] Types of pseudopotentials
zafar rasheed
2012/07/29
[Pw_forum] Running QHA calculations for orthorhombic structure
Kondaiah Samudrala
2012/07/29
[Pw_forum] Reminder: csaty...@gmail.com wants to follow you
csaty...@gmail.com
2012/07/29
[Pw_forum] MoS2 -monolayer input -
Sohail Ahmad
2012/07/28
[Pw_forum] Bug in PW/pw_readfile
Andrea Dal Corso
2012/07/28
[Pw_forum] U calculation error
Peng Chen
2012/07/28
[Pw_forum] Error while compiling Quantum Espresso
Lorenzo Paulatto
2012/07/28
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/28
[Pw_forum] Request
Stefano de Gironcoli
2012/07/28
[Pw_forum] Request
Amin Amin
2012/07/28
[Pw_forum] Error while compiling Quantum Espresso
zafar rasheed
2012/07/28
[Pw_forum] pw91 pseudopotential for Se
bramha pandey
2012/07/28
[Pw_forum] pw91 pseudopotential for Se
Sohail Ahmad
2012/07/27
[Pw_forum] U calculation error
Peng Chen
2012/07/27
[Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF
Lorenzo Paulatto
2012/07/27
[Pw_forum] U calculation error
Matteo Cococcioni
2012/07/27
[Pw_forum] two conflicting
bf azi
2012/07/27
[Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF
Derek Stewart
2012/07/27
[Pw_forum] U calculation error
Peng Chen
2012/07/27
[Pw_forum] Bug in PW/pw_readfile
Iurii TIMROV
2012/07/27
[Pw_forum] k points weights
Franklin Zhan
2012/07/27
[Pw_forum] k points weights
Davide Tiana
2012/07/26
[Pw_forum] convergence problem for charged simulation cell
Alexey Akimov
2012/07/26
[Pw_forum] plotrho and atom core !
m
2012/07/26
[Pw_forum] k points weights
Thaneshwor Kaloni
2012/07/26
[Pw_forum] vc-md_NOT-STOP
Ranber Thakur
2012/07/26
[Pw_forum] vc-md_NOT-STOP
Paolo Giannozzi
2012/07/26
[Pw_forum] read out settings for ld1.x run from UPF-file
Paolo Giannozzi
2012/07/26
[Pw_forum] release espresso 5.0.1
Layla Martin-Samos
2012/07/26
[Pw_forum] pseudopotential
Axel Kohlmeyer
2012/07/26
[Pw_forum] pseudopotential
bf azi
2012/07/26
[Pw_forum] read out settings for ld1.x run from UPF-file
Giuseppe Mattioli
2012/07/26
[Pw_forum] read out settings for ld1.x run from UPF-file
Cheng-chau Chiu
2012/07/26
[Pw_forum] k points weights
Axel Kohlmeyer
2012/07/26
[Pw_forum] k points weights
Sohail Ahmad
2012/07/26
[Pw_forum] vc-md_NOT-STOP
Ranber Thakur
2012/07/25
[Pw_forum] reg: pseudopotential
mohnish pandey
2012/07/25
[Pw_forum] reg: pseudopotential
Swetarekha Ram
2012/07/25
[Pw_forum] pseudopotential
Stefano de Gironcoli
2012/07/25
[Pw_forum] pseudopotential
bf azi
2012/07/25
[Pw_forum] Postdoc Position at UCLA Chemistry
Jin Zhang
2012/07/25
[Pw_forum] Force constant fron ionic long range part
mayank
2012/07/25
[Pw_forum] parallelization of phonon calculations
William Parker
2012/07/25
[Pw_forum] Regarding QHA calculations
Kondaiah Samudrala
2012/07/25
[Pw_forum] parallelization of phonon calculations
Paolo Giannozzi
2012/07/25
[Pw_forum] pseudopotential
Paolo Giannozzi
2012/07/25
[Pw_forum] pseudopotential
Emine Kucukbenli
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] pseudopotential
Axel Kohlmeyer
2012/07/25
[Pw_forum] pseudopotential
bf azi
2012/07/25
[Pw_forum] QE installation on standard HPC machines.
Emine Kucukbenli
2012/07/25
[Pw_forum] parallelization of phonon calculations
William Parker
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Filipe Camargo Dalmatti Alves Lima
2012/07/25
[Pw_forum] parallelization of phonon calculations
Torstein Fjermestad
2012/07/25
[Pw_forum] Problem on runing espresso-4.3.2
Paolo Giannozzi
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] parallelization of phonon calculations
Paolo Giannozzi
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Carlo Nervi
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Giuseppe Mattioli
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
naz...@iasbs.ac.ir
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Paolo Giannozzi
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] parallelization of phonon calculations
Torstein Fjermestad
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/25
[Pw_forum] Calculation of Gibbs free energies
Torstein Fjermestad
2012/07/25
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Giuseppe Mattioli
2012/07/25
[Pw_forum] Problem on runing espresso-4.3.2
Mahdi Faghih nasiri
2012/07/24
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Filipe Camargo Dalmatti Alves Lima
2012/07/24
[Pw_forum] how to calculate and plot HOMO or LUMO isosurface
Franklin Zhan
2012/07/24
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
2012/07/24
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
2012/07/24
[Pw_forum] RE Problem with epsilon.x
sylvian kahane
2012/07/24
[Pw_forum] error in DGETRF during generation of pseudopotential
bamidele ibrahim
2012/07/24
[Pw_forum] dipol correction in slab model calculations
Guido Fratesi
2012/07/24
[Pw_forum] dipol correction in slab model calculations
Cheng-chau Chiu
2012/07/24
[Pw_forum] atomic projection in the band structure
Guido Fratesi
2012/07/24
[Pw_forum] (no subject)
Avms T
2012/07/24
[Pw_forum] Problem with epsilon.x
Paolo Giannozzi
2012/07/24
[Pw_forum] Wrong frequencies on STO phonons
Andrea Dal Corso
2012/07/24
[Pw_forum] Problem with epsilon.x
Bohdan Andriyevskyy
2012/07/23
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
2012/07/23
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
2012/07/23
[Pw_forum] Etot in cp.x vs pw.x
Simon Binnie
2012/07/23
[Pw_forum] Etot in cp.x vs pw.x
sylvian kahane
2012/07/23
[Pw_forum] Wrong representation in 5.0
Lorenzo Paulatto
2012/07/23
[Pw_forum] Wrong representation in 5.0
Davide Ceresoli
2012/07/23
[Pw_forum] Gamma-point tricks
henry odhiambo
2012/07/22
[Pw_forum] ecutwfc
Lorenzo Paulatto
2012/07/22
[Pw_forum] Etot in cp.x vs pw.x
Lorenzo Paulatto
2012/07/22
[Pw_forum] Etot in cp.x vs pw.x
Paolo Giannozzi
2012/07/22
[Pw_forum] Etot in cp.x vs pw.x
Stefano de Gironcoli
2012/07/22
[Pw_forum] Etot in cp.x vs pw.x
sylvian
2012/07/22
[Pw_forum] Gamm-point tricks
Giuseppe Mattioli
2012/07/22
[Pw_forum] Gamm-point tricks
bramha pandey
2012/07/22
[Pw_forum] Gamm-point tricks
Duy Le
2012/07/22
[Pw_forum] Gamm-point tricks
henry odhiambo
2012/07/21
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
2012/07/21
[Pw_forum] atomic projection in the band structure
程迎春
2012/07/21
[Pw_forum] Relax in primitive cell or conventional cell
Peng Chen
2012/07/21
No subject
2012/07/21
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
2012/07/21
[Pw_forum] atomic projection in the band structure
Paolo Giannozzi
2012/07/20
[Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x
Peng Tao
2012/07/20
[Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x
Peng Tao
2012/07/20
[Pw_forum] atomic projection in the band structure
Hanghui Chen
2012/07/20
[Pw_forum] Wrong frequencies on STO phonons
Paolo Giannozzi
2012/07/20
[Pw_forum] Wrong frequencies on STO phonons
"Alejandro Rébola"
2012/07/20
[Pw_forum] relaxed structure output
Paolo Giannozzi
2012/07/20
[Pw_forum] Non collinear calculation
Niharika Joshi
2012/07/20
[Pw_forum] relaxed structure output
mayank gupta
2012/07/19
[Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation
Paolo Giannozzi
2012/07/19
[Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation
Koushik Pal
2012/07/19
[Pw_forum] Band structure of Diamagnetic system
Abolore Musari
2012/07/19
[Pw_forum] TDDFT with turbo_lanczos.x
Simon Binnie
2012/07/19
[Pw_forum] TDDFT with turbo_lanczos.x
henry odhiambo
2012/07/19
[Pw_forum] TDDFT with turbo_lanczos.x
henry odhiambo
2012/07/19
[Pw_forum] Band structure of Diamagnetic system
Paolo Giannozzi
2012/07/19
[Pw_forum] Band Structure and nscf calculation
Thaneshwor Kaloni
2012/07/19
[Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete.
Axel Kohlmeyer
2012/07/18
[Pw_forum] Band Structure and nscf calculation
Sohail Ahmad
2012/07/18
[Pw_forum] Input error?
GAO Zhe
2012/07/18
[Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete.
yqsu
2012/07/18
[Pw_forum] Input error?
Paolo Giannozzi
2012/07/18
[Pw_forum] Input error?
Pedro Augusto F. P. Moreira
2012/07/18
[Pw_forum] Input error?
Duy Le
2012/07/18
[Pw_forum] Input error?
Pedro Augusto F. P. Moreira
2012/07/18
[Pw_forum] ntg with Hybrid Calculations
Paolo Giannozzi
2012/07/18
[Pw_forum] Why does Ewald sum calculation need so much RAM
Paolo Giannozzi
2012/07/18
[Pw_forum] self consistent calculation
Thaneshwor Kaloni
2012/07/18
[Pw_forum] Band structure of Diamagnetic system
Abolore Musari
2012/07/18
[Pw_forum] self consistent calculation
Filipe Camargo Dalmatti Alves Lima
2012/07/18
[Pw_forum] self consistent calculation
Sohail Ahmad
2012/07/18
[Pw_forum] supercell contraction and cell_factor parameter
Zhihui Zhu
2012/07/18
[Pw_forum] Why does Ewald sum calculation need so much RAM
Thomas Gruber
2012/07/18
[Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".
Paolo Giannozzi
2012/07/18
[Pw_forum] Band structure of Diamagnetic system
Paolo Giannozzi
2012/07/18
[Pw_forum] A question about the Ph.x code.
Paolo Giannozzi
2012/07/18
[Pw_forum] A question about the Ph.x code.
Filipe Camargo Dalmatti Alves Lima
2012/07/18
[Pw_forum] Clarification on how to compute elastic constants
Stefano de Gironcoli
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