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[Pw_forum] Lattice Parameters in Supercell
Angga Fauzi
[Pw_forum] Lattice Parameters in Supercell
Yao Yao
[Pw_forum] from read_namelists : error # 17
robinshy
[Pw_forum] from read_namelists : error # 17
Stefano Baroni
[Pw_forum] from read_namelists : error # 17
Paolo Giannozzi
[Pw_forum] 回复: Re: from read_namelists : error # 17
robinshy
[Pw_forum] 回复: Re: from read_namelists : error # 17
Stefano Baroni
[Pw_forum] 回复: Re: from read_namelists : error # 17
Paolo Giannozzi
[Pw_forum] 回复: Re: from read_namelists : error # 17
robinshy
[Pw_forum] problems with examples for bands.x
David Strubbe
[Pw_forum] problems with examples for bands.x
Siarhei Samsonau
[Pw_forum] problems with examples for bands.x
Paolo Giannozzi
[Pw_forum] problems with examples for bands.x
Paolo Giannozzi
[Pw_forum] Fwd: Call for candidacy at PIIM Laboratory - CNRS position
Paolo Giannozzi
[Pw_forum] set_hubbard_l.f90
Prasenjit Ghosh
[Pw_forum] set_hubbard_l.f90
Burak Himmetoglu
[Pw_forum] set_hubbard_l.f90
Prasenjit Ghosh
[Pw_forum] binding energy for bundle nanotubes
marziyeh khodadad
[Pw_forum] Compute Debye temperature
Yue-Wen Fang
[Pw_forum] Compute Debye temperature
Sanjeev Gupta
[Pw_forum] Compute Debye temperature
Yue-Wen Fang
[Pw_forum] Further reduce disk IO for ph.x
Yao Yao
[Pw_forum] Further reduce disk IO for ph.x
Axel Kohlmeyer
[Pw_forum] Further reduce disk IO for ph.x
Paolo Giannozzi
[Pw_forum] Further reduce disk IO for ph.x
Yao Yao
[Pw_forum] polarizability calculation
Olga Sedelnikova
[Pw_forum] polarizability calculation
Paolo Giannozzi
[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0
ruchir behal
[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0
Lorenzo Paulatto
[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0
Paolo Giannozzi
[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0
Axel Kohlmeyer
[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0
Layla Martin-Samos
[Pw_forum] NRL Crystal Web Site Back on Line
Michael Mehl
[Pw_forum] Not Quite Yet [was: NRL Crystal Web Site Back on Line]
Michael Mehl
[Pw_forum] Best strategy to calculate band gap
Yury Vishnevskiy
[Pw_forum] Best strategy to calculate band gap
Stefano Baroni
[Pw_forum] Best strategy to calculate band gap
Yura Vishnevskiy
[Pw_forum] Difference in Total energies!
Balaji Ramanujam
[Pw_forum] Difference in Total energies!
Stefano Baroni
[Pw_forum] old references for examples
David Strubbe
[Pw_forum] old references for examples
Paolo Giannozzi
[Pw_forum] inadequate format statements in PHonon
David Strubbe
[Pw_forum] inadequate format statements in PHonon
Andrea Dal Corso
[Pw_forum] Pw_forum Digest, Vol 66, Issue 10
Satyananda Chab
[Pw_forum] questions on an interfacial energy calculation
Tram Bui
[Pw_forum] Fwd: error while plotting Phonon
Abolore Musari
[Pw_forum] Fwd: error while plotting Phonon
Paolo Giannozzi
[Pw_forum] how to do cluster calculation-shiva
Shiva Shankari
[Pw_forum] Fwd: how to do cluster calculation-shiva
Shiva Shankari
[Pw_forum] DOS calculation
marziyeh khodadad
[Pw_forum] DOS calculation
Sohail Ahmad
[Pw_forum] DOS calculation
Yun Wang
[Pw_forum] vc-relax calculation
marziyeh khodadad
[Pw_forum] vc-relax calculation
ehsan targholi
[Pw_forum] vc-relax calculation
Sanjeev Gupta
[Pw_forum] vc-relax calculation
Julen Larrucea
[Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points
Thomas Gruber
[Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points
Paolo Giannozzi
[Pw_forum] Error while running tests and examples
manoj panwar
[Pw_forum] Error while running tests and examples
Lorenzo Paulatto
[Pw_forum] Error while running tests and examples
Lorenzo Paulatto
[Pw_forum] Error while running tests and examples
manoj panwar
[Pw_forum] Scalapack and QE Integration Problem
Iwan Darmadi
[Pw_forum] Scalapack and QE Integration Problem
Paolo Giannozzi
[Pw_forum] K_POINTS automatic
zahra vatankhah
[Pw_forum] K_POINTS automatic
Lorenzo Paulatto
[Pw_forum] K_POINTS automatic
zahra vatankhah
[Pw_forum] K_POINTS automatic
Lorenzo Paulatto
[Pw_forum] K_POINTS automatic
zahra vatankhah
[Pw_forum] K_POINTS automatic
Lorenzo Paulatto
[Pw_forum] K_POINTS automatic
zahra vatankhah
[Pw_forum] K_POINTS automatic
Giuseppe Mattioli
[Pw_forum] K_POINTS automatic
Paolo Giannozzi
[Pw_forum] U calculation in GGA+U
Peng Chen
[Pw_forum] U calculation in GGA+U
Matteo Cococcioni
[Pw_forum] U calculation in GGA+U
Peng Chen
[Pw_forum] Error in routine cp_read_cell (1)
Bramha Pandey
[Pw_forum] Error in routine cp_read_cell (1)
Paolo Giannozzi
[Pw_forum] Error in routine cp_read_cell (1)
Bramha Pandey
[Pw_forum] Error in routine cp_read_cell (1)
Paolo Giannozzi
[Pw_forum] Error in routine cp_read_cell (1)
Bramha Pandey
[Pw_forum] Error in routine cp_read_cell (1)
Bramha Pandey
[Pw_forum] Error in routine cp_read_cell (1)
Paolo Giannozzi
[Pw_forum] Error in routine cp_read_cell (1)
Bramha Pandey
[Pw_forum] about the phonon density of states projected onto atom in BZ.
Y. L. Li
[Pw_forum] about the phonon density of states projected onto atom in BZ.
Tian Lan
[Pw_forum] ev.x problem with MgO
Sakhrawi Taoufek
[Pw_forum] ev.x problem with MgO
Bramha Pandey
[Pw_forum] ev.x problem with MgO
Paolo Giannozzi
[Pw_forum] Convergence of dos near band edge
Bo Qiu
[Pw_forum] Convergence of dos near band edge
Stefano Baroni
[Pw_forum] Convergence of dos near band edge
Bo Qiu
[Pw_forum] Convergence of dos near band edge
Bo Qiu
[Pw_forum] D3.x limited to Gamma point?
Badescu, Stefan
[Pw_forum] D3.x limited to Gamma point?
Stefano Baroni
[Pw_forum] D3.x limited to Gamma point?
Badescu, Stefan
[Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241)
Bramha Pandey
[Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241)
Paolo Giannozzi
[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic
Bramha Pandey
[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic
Paolo Giannozzi
[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic
Bramha Pandey
[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic
Paolo Giannozzi
[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic
Bramha Pandey
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Tian Lan
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Alexey Akimov
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Paolo Giannozzi
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Tian Lan
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Davide Ceresoli
[Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?
Paolo Giannozzi
[Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)
Tsogbadrakh N
[Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)
Layla Martin-Samos
[Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)
Paolo Giannozzi
[Pw_forum] problem with field
pari shok
[Pw_forum] problem with field
zahra vatankhah
[Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)
Eduardo Ariel Menendez Proupin
[Pw_forum] dummy atom
Maryam Jamali
[Pw_forum] dummy atom
Lorenzo Paulatto
[Pw_forum] dummy atom
Axel Kohlmeyer
[Pw_forum] Frequency Dependent Dielectric Function
Iwan Darmadi
[Pw_forum] Frequency Dependent Dielectric Function
Layla Martin-Samos
[Pw_forum] [Support] Issue with cppp.x in QE CPMD
Layla Martin-Samos
[Pw_forum] [Support] Issue with cppp.x in QE CPMD
Paolo Giannozzi
[Pw_forum] [Support] Issue with cppp.x in QE CPMD
Paolo Giannozzi
[Pw_forum] Efermi in band structure calculations
C
[Pw_forum] Efermi in band structure calculations
zahra vatankhah
[Pw_forum] Efermi in band structure calculations
C
[Pw_forum] Efermi in band structure calculations
Sanjeev Gupta
[Pw_forum] Efermi in band structure calculations
C
[Pw_forum] Efermi in band structure calculations
Mohsen Modaresi
[Pw_forum] Efermi in band structure calculations
C
[Pw_forum] Efermi in band structure calculations
Paolo Giannozzi
[Pw_forum] Efermi in band structure calculations
C
[Pw_forum] Electron-Phonon Interaction in Insulators
Samuel Smith
[Pw_forum] PbSe Pseudopotential from PSlibrary
Rui Mao
[Pw_forum] q-grid generation in phonon calculation
Aaditya Manjanath
[Pw_forum] Putting a strain on a BCC
Ben Palmer
[Pw_forum] Putting a strain on a BCC
Paolo Giannozzi
[Pw_forum] Putting a strain on a BCC
Ben Palmer
[Pw_forum] Putting a strain on a BCC
Eduardo Ariel Menendez Proupin
[Pw_forum] Putting a strain on a BCC
Ben Palmer
[Pw_forum] U for Fe
Mansoureh Pashangpour
[Pw_forum] U for Fe
Emine Kucukbenli
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Filippo Spiga
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Chengyang Li
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Filippo Spiga
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Yue-Wen Fang
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Ivan Girotto
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Yue-Wen Fang
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
German Samolyuk
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
Ivan Girotto
[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download
German Samolyuk
[Pw_forum] plotrho.x
Sakhrawi Taoufek
[Pw_forum] plotrho.x
Giovanni Pizzi
[Pw_forum] Error: array gk out-of-bounds With ph.x
dt...@bath.ac.uk
[Pw_forum] Error: array gk out-of-bounds With ph.x
Paolo Giannozzi
[Pw_forum] TDDFPT module -- input read error check
Marci
[Pw_forum] TDDFPT module -- input read error check
Paolo Giannozzi
[Pw_forum] Bond Order criteria in plane wave basis
yukihiro_ok...@fujifilm.co.jp
[Pw_forum] Bond Order criteria in plane wave basis
Giovanni La Penna
[Pw_forum] Modelling the pyramidization of Disilane using QE
David Bruce Williams-Young
[Pw_forum] fft-check warning
Ker Park
[Pw_forum] fft-check warning
Paolo Giannozzi
[Pw_forum] nqx in HSE
Amin Torabi
[Pw_forum] nqx in HSE
Paolo Giannozzi
[Pw_forum] nqx in HSE
Amin Torabi
[Pw_forum] nqx in HSE
Giuseppe Mattioli
[Pw_forum] fnosee parameter
Karim REZOUALI
[Pw_forum] fnosee parameter
Axel Kohlmeyer
[Pw_forum] PhD position at the University of Saskatchewan, Canada
Yao, Yansun
[Pw_forum] Calculate Magnetic Moments of Specific Atoms
曹海元
[Pw_forum] espresso release-5.0.2
Layla Martin-Samos
[Pw_forum] electron-phonon interaction error.
Y. L. Li
[Pw_forum] electron-phonon interaction error.
Lorenzo Paulatto
[Pw_forum] electron-phonon interaction error.
Y. L. Li
[Pw_forum] help reg . atomic positions
Shiva Shankari
[Pw_forum] Sm2S3 calculations
Hrachya Kyureghian
[Pw_forum] Sm2S3 calculations
Darshana Wickramaratne
[Pw_forum] Sm2S3 calculations
Paolo Giannozzi
[Pw_forum] Sm2S3 calculations
Hrachya Kyureghian
[Pw_forum] Sm2S3 calculations
Paolo Giannozzi
[Pw_forum] Hessian matrix
Antonio
[Pw_forum] Hessian matrix
Paolo Giannozzi
[Pw_forum] Hessian matrix
Antonio
[Pw_forum] Hessian matrix
Antonio
[Pw_forum] Hessian matrix
Paolo Giannozzi
[Pw_forum] ecutvcut in Hybrid functionals
Jianpeng Liu
[Pw_forum] ecutvcut in Hybrid functionals
Layla Martin-Samos
[Pw_forum] ecutvcut in Hybrid functionals
Jianpeng Liu
[Pw_forum] ecutvcut in Hybrid functionals
Leonardo Matheus
[Pw_forum] ecutvcut in Hybrid functionals
Jianpeng Liu
[Pw_forum] ecutvcut in Hybrid functionals
Layla Martin-Samos
[Pw_forum] ecutvcut in Hybrid functionals
Amin Torabi
[Pw_forum] ecutvcut in Hybrid functionals
Simon Binnie
[Pw_forum] ecutvcut in Hybrid functionals
Layla Martin-Samos
[Pw_forum] Band Structure plot
Tsogbadrakh N
[Pw_forum] Band Structure plot
Priyanka Goud
[Pw_forum] Band Structure plot
Axel Kohlmeyer
[Pw_forum] Band Structure plot
Paolo Giannozzi
[Pw_forum] Band Structure plot
Tsogbadrakh N
[Pw_forum] Band Structure plot
Andrea Dal Corso
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