March 2010 Archives by date
Starting: Mon Mar 1 04:09:33 CET 2010
Ending: Wed Mar 31 23:30:11 CEST 2010
Messages: 400
- [Pw_forum] Error in running GWW
Adrian
- [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)
Masoud Nahali
- [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)
Ngoc Linh Nguyen
- [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)
O. Baris Malcioglu
- [Pw_forum] Visuallization
Jan Felix Binder
- [Pw_forum] File Error of GIPAW module
Bingwen Hu
- [Pw_forum] File Error of GIPAW module
Ari P Seitsonen
- [Pw_forum] reusing converged density
Luke Shulenburger
- [Pw_forum] defect state
kazempoor at ph.iut.ac.ir
- [Pw_forum] reusing converged density
Stefano Baroni
- [Pw_forum] File Error of GIPAW module
Bingwen Hu
- [Pw_forum] File Error of GIPAW module
Goranka Bilalbegovic
- [Pw_forum] bug in data input?
Paolo Giannozzi
- [Pw_forum] Hirshfeld charges
Paolo Giannozzi
- [Pw_forum] reusing converged density
Paolo Giannozzi
- [Pw_forum] spilling parameter
Dimpy Sharma
- [Pw_forum] spilling parameter
Paolo Giannozzi
- [Pw_forum] defect state
Paolo Giannozzi
- [Pw_forum] spilling parameter
Gabriele Sclauzero
- [Pw_forum] from card_kpoints : error # 1
Elie Moujaes
- [Pw_forum] from card_kpoints : error # 1
udayagiri sai babu
- [Pw_forum] from card_kpoints : error # 1
Elie Moujaes
- [Pw_forum] from card_kpoints : error # 1
Lorenzo Paulatto
- [Pw_forum] from card_kpoints : error # 1
Elie Moujaes
- [Pw_forum] from card_kpoints : error # 1
Lorenzo Paulatto
- [Pw_forum] Generate pseudopotential for Sb
Vo, Trinh (388C)
- [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax
Amandeep Kaur
- [Pw_forum] from card_kpoints : error # 1
Elie Moujaes
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] File Error of GIPAW module
Bingwen Hu
- [Pw_forum] about the from scale_h : error
Ngoc Linh Nguyen
- [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax
Ngoc Linh Nguyen
- [Pw_forum] about the from scale_h : error
Paolo Giannozzi
- [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax
Amandeep Kaur
- [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax
Paolo Giannozzi
- [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax
Amandeep Kaur
- [Pw_forum] Generate pseudopotential for Sb
Lorenzo Paulatto
- [Pw_forum] "Mulliken population" and dos pojections
P.Canepa
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] about the from scale_h : error
Lorenzo Paulatto
- [Pw_forum] defect state
Giuseppe Mattioli
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] about the from scale_h : error
Lorenzo Paulatto
- [Pw_forum] cannot open ps file in Ghostscript
Elie Moujaes
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] cannot open ps file in Ghostscript
Ngoc Linh Nguyen
- [Pw_forum] about the from scale_h : error
Lorenzo Paulatto
- [Pw_forum] Problems with XSpectra code
Cristian Degli Esposti Boschi
- [Pw_forum] "Mulliken population" and dos pojections
Paolo Giannozzi
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] about the from scale_h : error
Lorenzo Paulatto
- [Pw_forum] graphene band structure graph
Elie Moujaes
- [Pw_forum] Generate pseudopotential for Sb
Vo, Trinh (388C)
- [Pw_forum] Generate pseudopotential for Sb
Lorenzo Paulatto
- [Pw_forum] graphene band structure graph
Stefano Baroni
- [Pw_forum] Generate pseudopotential for Sb
Vo, Trinh (388C)
- [Pw_forum] graphene band structure graph
Elie Moujaes
- [Pw_forum] Generate pseudopotential for Sb
Lorenzo Paulatto
- [Pw_forum] about the from scale_h : error
Wei Zhou
- [Pw_forum] Generate pseudopotential for Sb
Vo, Trinh (388C)
- [Pw_forum] graphene band structure graph
Stefano Baroni
- [Pw_forum] graphene band structure graph
Giovanni Cantele
- [Pw_forum] about magnetic moment in projwfc.x
saqib javaid
- [Pw_forum] graphene band structure graph
lfhuang
- [Pw_forum] graphene band structure graph
Elie Moujaes
- [Pw_forum] lm decomposed band structure
Duy Le
- [Pw_forum] lm decomposed band structure
Gabriele Sclauzero
- [Pw_forum] "Mulliken population" and dos pojections
Roberto Guerra
- [Pw_forum] l,lm decomposed density of state
Gianluca Giovannetti
- [Pw_forum] occupancies d state from occupation matrix.
Gianluca Giovannetti
- [Pw_forum] lm decomposed band structure
Duy Le
- [Pw_forum] "Mulliken population" and dos pojections
Paolo Giannozzi
- [Pw_forum] Graphene--Silicon Surface(scf not converge)
wulilixiangguo at sina.com
- [Pw_forum] Graphene--Silicon Surface(scf not converge)
Giovanni Cantele
- [Pw_forum] lm decomposed band structure
Stefano Baroni
- [Pw_forum] lm decomposed band structure
Duy Le
- [Pw_forum] l,lm decomposed density of state
Ngoc Linh Nguyen
- [Pw_forum] l,lm decomposed density of state
Gianluca Giovannetti
- [Pw_forum] n_gauss in GWW
kazempoor at ph.iut.ac.ir
- [Pw_forum] How to cite Q~E
vega lew
- [Pw_forum] How to cite Q~E
marsamos at democritos.it
- [Pw_forum] How to cite Q~E
vega lew
- [Pw_forum] crystal or tpiba_b
Elie Moujaes
- [Pw_forum] crystal or tpiba_b
Giovanni Cantele
- [Pw_forum] How to cite Q~E
marsamos at democritos.it
- [Pw_forum] How to cite Q~E
Stefano Baroni
- [Pw_forum] How to cite Q~E
Stefano Baroni
- [Pw_forum] lm decomposed band structure
Gianluca Giovannetti
- [Pw_forum] How to cite Q~E
Stefano Baroni
- [Pw_forum] How to cite Q~E
vega lew
- [Pw_forum] 回复:Re: Graphene--Silicon Surface(scf not converge)
wulilixiangguo at sina.com
- [Pw_forum] crystal or tpiba_b
Elie Moujaes
- [Pw_forum] Graphene band structure
Elie Moujaes
- [Pw_forum] Graphene band structure
Ngoc Linh Nguyen
- [Pw_forum] Graphene band structure
lfhuang
- [Pw_forum] From davcio: error #10
Patrick Holvey
- [Pw_forum] From davcio: error #10
Paolo Giannozzi
- [Pw_forum] From davcio: error #10
Patrick Holvey
- [Pw_forum] From davcio: error #10
Patrick Holvey
- [Pw_forum] From davcio: error #10
Davide Ceresoli
- [Pw_forum] From davcio: error #10
Patrick Holvey
- [Pw_forum] GWW in wannier part
kazempoor at ph.iut.ac.ir
- [Pw_forum] How to get the electrical potential of each atom
wujianchun
- [Pw_forum] lm decomposed band structure
Gabriele Sclauzero
- [Pw_forum] How to get the electrical potential of each atom
Ngoc Linh Nguyen
- [Pw_forum] On the use of Quantum Espresso on GPUs
Hande Ustunel
- [Pw_forum] How to get the electrical potential of each atom
wujianchun
- [Pw_forum] On the use of Quantum Espresso on GPUs
O. Baris Malcioglu
- [Pw_forum] How to get the electrical potential of each atom
Ngoc Linh Nguyen
- [Pw_forum] defect state
marsamos at democritos.it
- [Pw_forum] simulations at 100 nodes
Dimpy Sharma
- [Pw_forum] Graphene band structure
Elie Moujaes
- [Pw_forum] calculation which will result in the change of the supercell symmetry
mohnish pandey
- [Pw_forum] raman conversion of tensor to intensity(spectra)
kazempoor at ph.iut.ac.ir
- [Pw_forum] calculation which will result in the change of the supercell symmetry
Ngoc Linh Nguyen
- [Pw_forum] How to get the electrical potential of each atom
wujianchun
- [Pw_forum] Graphene band structure
Derek Stewart
- [Pw_forum] DOS for graphene using plot_num=3
Elie Moujaes
- [Pw_forum] Graphene band structure
Elie Moujaes
- [Pw_forum] DOS for graphene using plot_num=3
Ngoc Linh Nguyen
- [Pw_forum] simulations at 100 nodes
Ngoc Linh Nguyen
- [Pw_forum] simulations at 100 nodes
Duy Le
- [Pw_forum] (no subject)
Elie Moujaes
- [Pw_forum] Shifting x axis using gnuplot
Elie Moujaes
- [Pw_forum] Shifting x axis using gnuplot
Lorenzo Paulatto
- [Pw_forum] How to generate a new PP with fractional charge?
Alexis Amezaga
- [Pw_forum] How to generate a new PP with fractional charge?
Lorenzo Paulatto
- [Pw_forum] Graphene band structure
lfhuang
- [Pw_forum] How to output the symmetry operation matrix?
ruizhi zhang
- [Pw_forum] How to output the symmetry operation matrix?
Gabriele Sclauzero
- [Pw_forum] From davcio: error #10
Patrick Holvey
- [Pw_forum] simulations at 100 nodes
Paolo Giannozzi
- [Pw_forum] How to output the symmetry operation matrix?
Paolo Giannozzi
- [Pw_forum] From davcio: error #10
Paolo Giannozzi
- [Pw_forum] Error in running GWW wrong data-file.xml file
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] matvecd.f
Antonio Tilocca
- [Pw_forum] matvecd.f
Paolo Giannozzi
- [Pw_forum] matvecd.f
Paolo Giannozzi
- [Pw_forum] Error in running GWW wrong data-file.xml file
Dal Corso Andrea
- [Pw_forum] example15
ali kazempour
- [Pw_forum] the code for pwscf to castep
Wei Zhou
- [Pw_forum] Phonon plotting utility
Eyvaz Isaev
- [Pw_forum] Pw_forum Digest, Vol 33, Issue 32
Alexis Amezaga
- [Pw_forum] calculating the cell parameters in crystals
Elie Moujaes
- [Pw_forum] DOS of graphene
Elie Moujaes
- [Pw_forum] DOS of graphene
Giovanni Cantele
- [Pw_forum] calculating the cell parameters in crystals
Giovanni Cantele
- [Pw_forum] Pw_forum Digest, Vol 33, Issue 32
Paolo Giannozzi
- [Pw_forum] About supercell App.
mohsen modaresi
- [Pw_forum] calculating the cell parameters in crystals
mohnish pandey
- [Pw_forum] DOS of graphene
alexandra.carvalho at epfl.ch
- [Pw_forum] calculating the cell parameters in crystals
O. Baris Malcioglu
- [Pw_forum] About supercell App.
Ngoc Linh Nguyen
- [Pw_forum] QE & Xcrysden
naphtaly moro
- [Pw_forum] QE & Xcrysden
Ngoc Linh Nguyen
- [Pw_forum] QE & Xcrysden
Giovanni Cantele
- [Pw_forum] QE & Xcrysden
Sebastijan Peljhan
- [Pw_forum] calculating the cell parameters in crystals
Masoud Nahali
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
mohnish pandey
- [Pw_forum] vc-relax with starting_magnetization
Bryan M. Wong
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
Ngoc Linh Nguyen
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
Giovanni Cantele
- [Pw_forum] About the deformation potential approximation and elctron-phonon coupling
Jun Dai
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] 'Relax' variable
Masoud Nahali
- [Pw_forum] DOS of graphene
Elie Moujaes
- [Pw_forum] 'Relax' variable
Lorenzo Paulatto
- [Pw_forum] pseudopotential for Fe and Se
Gianluca Giovannetti
- [Pw_forum] pseudopotential for Fe and Se
Gianluca Giovannetti
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
mohnish pandey
- [Pw_forum] Wrong oxygen mass in example 13
Dan Michael Olsen Heggø
- [Pw_forum] Wrong oxygen mass in example 13
Paolo Giannozzi
- [Pw_forum] QE & Xcrysden
naphtaly moro
- [Pw_forum] Wrong oxygen mass in example 13
Dal Corso Andrea
- [Pw_forum] QE & Xcrysden
Ngoc Linh Nguyen
- [Pw_forum] QE & Xcrysden
Lorenzo Paulatto
- [Pw_forum] QE & Xcrysden
Giovanni Cantele
- [Pw_forum] Drawing 2D plane using XCRYSDEN
Bipul Rakshit
- [Pw_forum] density of states of graphene
Elie Moujaes
- [Pw_forum] Drawing 2D plane using XCRYSDEN
Jibiao Li
- [Pw_forum] density of states of graphene
Elie Moujaes
- [Pw_forum] xc functional
Fang, Yuan
- [Pw_forum] xc functional
Andrea Ferretti
- [Pw_forum] density of states of graphene
Giovanni Cantele
- [Pw_forum] Error in running GWW wrong data-file.xml file
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
Duy Le
- [Pw_forum] Error in running GWW wrong data-file.xml file
Paolo Giannozzi
- [Pw_forum] pseudopotential for Fe and Se
Paolo Giannozzi
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
Ngoc Linh Nguyen
- [Pw_forum] DOS of graphene
Elie Moujaes
- [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION
Duy Le
- [Pw_forum] DOS of graphene
Duy Le
- [Pw_forum] DOS of graphene
Duy Le
- [Pw_forum] Crystal for XCrySDen
Elie Moujaes
- [Pw_forum] Crystal for XCrySDen
Paolo Giannozzi
- [Pw_forum] Crystal for XCrySDen
Sanda Botis
- [Pw_forum] vc-relax with starting_magnetization
Paolo Giannozzi
- [Pw_forum] pw.x diagonalization (DSYGV*) failed
Carlo Nervi
- [Pw_forum] pw.x diagonalization (DSYGV*) failed
Lorenzo Paulatto
- [Pw_forum] .WIN file structure
Elie Moujaes
- [Pw_forum] plotproj
Rafael Julian Gonzalez Hernandez
- [Pw_forum] .WIN file structure
Gabriele Sclauzero
- [Pw_forum] pw.x diagonalization (DSYGV*) failed
Carlo Nervi
- [Pw_forum] pw.x diagonalization (DSYGV*) failed
Lorenzo Paulatto
- [Pw_forum] plotproj
Ngoc Linh Nguyen
- [Pw_forum] plotproj
Ngoc Linh Nguyen
- [Pw_forum] .WIN file structure
Elie Moujaes
- [Pw_forum] error while configuring W90 on pwscf
Elie Moujaes
- [Pw_forum] error while configuring W90 on pwscf
Ngoc Linh Nguyen
- [Pw_forum] W90 error: too many projections defined/k_points
Elie Moujaes
- [Pw_forum] W90 error: too many projections defined/k_points
Lorenzo Paulatto
- [Pw_forum] W90 error: too many projections defined/k_points
Elie Moujaes
- [Pw_forum] about charged defects in supercell calculations
patriot pershing
- [Pw_forum] DOS of graphene
mohsen modaresi
- [Pw_forum] error reference
yaldaa kh
- [Pw_forum] error reference
Stefano Baroni
- [Pw_forum] about charged defects in supercell calculations
lfhuang
- [Pw_forum] error reference
Stefano de Gironcoli
- [Pw_forum] AMD Open64 Compiler Suite
Carlo Nervi
- [Pw_forum] core wavefunction in xspectra calculations
Giuseppe Mattioli
- [Pw_forum] w90: existing...non symmetric k points neighbours
Elie Moujaes
- [Pw_forum] w90: existing...non symmetric k points neighbours
Gabriele Sclauzero
- [Pw_forum] w90: existing...non symmetric k points neighbours
Nicola Marzari
- [Pw_forum] Fortran compiler
Vo, Trinh (388C)
- [Pw_forum] Fortran compiler
Ngoc Linh Nguyen
- [Pw_forum] Fortran compiler
Vo, Trinh (388C)
- [Pw_forum] where is the "search" link in this forum
Lily Anh
- [Pw_forum] where is the "search" link in this forum
Paolo Giannozzi
- [Pw_forum] where is the "search" link in this forum
Lily Anh
- [Pw_forum] Fortran compiler
Paolo Giannozzi
- [Pw_forum] about charged defects in supercell calculations
Paolo Giannozzi
- [Pw_forum] where is the "search" link in this forum
Paolo Giannozzi
- [Pw_forum] where is the "search" link in this forum
Ngoc Linh Nguyen
- [Pw_forum] Fortran compiler
Lorenzo Paulatto
- [Pw_forum] where is the "search" link in this forum
Lorenzo Paulatto
- [Pw_forum] file not converging
kajal jindal
- [Pw_forum] AMD Open64 Compiler Suite
Masoud Nahali
- [Pw_forum] file not converging
Ngoc Linh Nguyen
- [Pw_forum] Fortran compiler
Miguel Martinez Canales
- [Pw_forum] AMD Open64 Compiler Suite
Paolo Giannozzi
- [Pw_forum] Problem with raman calculations
Merlin Meheut
- [Pw_forum] GIPAW
marsamos at democritos.it
- [Pw_forum] AMD Open64 Compiler Suite
Carlo Nervi
- [Pw_forum] GIPAW
Carlo Nervi
- [Pw_forum] AMD Open64 Compiler Suite
Paolo Giannozzi
- [Pw_forum] Problem with raman calculations
Paolo Giannozzi
- [Pw_forum] from set_irr : error # 2
Payam Norouzzadeh
- [Pw_forum] from set_irr : error # 2
Eyvaz Isaev
- [Pw_forum] AMD Open64 Compiler Suite
O. Baris Malcioglu
- [Pw_forum] flow-chart in PWSCF
S. K. S.
- [Pw_forum] GIPAW
Ary Junior
- [Pw_forum] about Ueff in LDA+U calculation
patriot pershing
- [Pw_forum] about Ueff in LDA+U calculation
Stefano de Gironcoli
- [Pw_forum] about Ueff in LDA+U calculation
patriot pershing
- [Pw_forum] flow-chart in PWSCF
Paolo Giannozzi
- [Pw_forum] Baldereschi and MP point.
Jiayu Dai
- [Pw_forum] about Ueff in LDA+U calculation
Stefano de Gironcoli
- [Pw_forum] Baldereschi and MP point.
Nicola Marzari
- [Pw_forum] Baldereschi and MP point.
Stefano de Gironcoli
- [Pw_forum] Fortran compiler
Vo, Trinh (388C)
- [Pw_forum] Baldereschi and MP point.
Jiayu Dai
- [Pw_forum] lattice constant from unit cell vs. from supercell
Chad Junkermeier
- [Pw_forum] Baldereschi and MP point.
Stefano de Gironcoli
- [Pw_forum] lattice constant from unit cell vs. from supercell
Paolo Giannozzi
- [Pw_forum] lattice constant from unit cell vs. from supercell
elbuesta at icqmail.com
- [Pw_forum] lattice constant from unit cell vs. from supercell
Duy Le
- [Pw_forum] lattice constant from unit cell vs. from supercell
Chad Junkermeier
- [Pw_forum] lattice constant from unit cell vs. from supercell
Chad Junkermeier
- [Pw_forum] lattice constant from unit cell vs. from supercell
Stefano de Gironcoli
- [Pw_forum] (no subject)
Сергей Николаев
- [Pw_forum] Fortran compiler
Paolo Giannozzi
- [Pw_forum] (no subject)
Carlo Nervi
- [Pw_forum] source of error
ali kazempour
- [Pw_forum] source of error
ali kazempour
- [Pw_forum] source of error
Ngoc Linh Nguyen
- [Pw_forum] source of error
Ngoc Linh Nguyen
- [Pw_forum] source of error
Ngoc Linh Nguyen
- [Pw_forum] GIPAW
marsamos at democritos.it
- [Pw_forum] source of error
ali kazempour
- [Pw_forum] source of error
Eyvaz Isaev
- [Pw_forum] vc-relax
udayagiri sai babu
- [Pw_forum] functional
Fang, Yuan
- [Pw_forum] Tight Binding (TB) model up to n nearest neighbours
Elie Moujaes
- [Pw_forum] Tight Binding (TB) model up to n nearest neighbours
Stefano Baroni
- [Pw_forum] functional
Paolo Giannozzi
- [Pw_forum] pseudopotential for K
Prasenjit Ghosh
- [Pw_forum] vc-relax
Ngoc Linh Nguyen
- [Pw_forum] pseudopotential for K
Prasenjit Ghosh
- [Pw_forum] Orthogonalization
Jiri Houska
- [Pw_forum] Orthogonalization
Stefano de Gironcoli
- [Pw_forum] Antiferromagnetic coupling between vacancies in a III-V ZB semiconductor
ilyes hamdi
- [Pw_forum] Pseudopotential for Lathanides
Vo, Trinh (388C)
- [Pw_forum] pseudopotential for K
Prasenjit Ghosh
- [Pw_forum] GWW-WANNIER part
kazempoor at ph.iut.ac.ir
- [Pw_forum] GWW-WANNIER part
Ngoc Linh Nguyen
- [Pw_forum] volume in output file.
Jiayu Dai
- [Pw_forum] Re. pseudopotential for K
shoutian sun
- [Pw_forum] so large magnitude in phonon calculation
Fanshun-Meng
- [Pw_forum] volume in output file.
Mighfar Imam
- [Pw_forum] volume in output file.
Stefano de Gironcoli
- [Pw_forum] so large magnitude in phonon calculation
Stefano de Gironcoli
- [Pw_forum] so large magnitude in phonon calculation
Paolo Giannozzi
- [Pw_forum] Re. pseudopotential for K
Prasenjit Ghosh
- [Pw_forum] Re. pseudopotential for K
Miguel Martínez
- [Pw_forum] volume in output file.
Jiayu Dai
- [Pw_forum] too many bands are not converged
Chad Junkermeier
- [Pw_forum] too many bands are not converged
Chad Junkermeier
- [Pw_forum] too many bands are not converged
Ngoc Linh Nguyen
- [Pw_forum] LDA+U calculations in CP.x
Giuseppe Mattioli
- [Pw_forum] LDA+U calculations in CP.x
Patrick Sit
- [Pw_forum] spin-polarized band structure
seunghwan lee
- [Pw_forum] spin-polarized band structure
Giovanni Cantele
- [Pw_forum] phonon dos of Fe
Fang, Yuan
- [Pw_forum] PP generation for specific exchange and correlation
Keitel Cervantes Salguero
- [Pw_forum] phonon dos of Fe
Michael Mehl
- [Pw_forum] volume in output file.
Stefano Baroni
- [Pw_forum] DOS at Ef
Olga Sedelnikova
- [Pw_forum] DOS at Ef
Giovanni Cantele
- [Pw_forum] DOS at Ef
Ngoc Linh Nguyen
- [Pw_forum] DOS at Ef
Giovanni Cantele
- [Pw_forum] Fortran compiler
Miguel Martinez Canales
- [Pw_forum] nscf calculations
Dimpy Sharma
- [Pw_forum] nscf calculations
Giovanni Cantele
- [Pw_forum] DOS at Ef
Gabriele Sclauzero
- [Pw_forum] DOS at Ef
Lorenzo Paulatto
- [Pw_forum] procedure for stopping jobs by prefix.EXIT file
Payam Norouzzadeh
- [Pw_forum] one question on |psi|^2
lfhuang
- [Pw_forum] procedure for stopping jobs by prefix.EXIT file
Gabriele Sclauzero
- [Pw_forum] one question on |psi|^2
Stefano Baroni
- [Pw_forum] one question on |psi|^2
Paolo Giannozzi
- [Pw_forum] pw.x generates duplicate k-points in scf mode
Mike Mehl
- [Pw_forum] pw.x generates duplicate k-points in scf mode
Paolo Giannozzi
- [Pw_forum] Sound velocity calculation
Pavel B Sorokin
- [Pw_forum] band structure of bi layer graphene
Elie Moujaes
- [Pw_forum] one question on |psi|^2
lfhuang
- [Pw_forum] Sound velocity calculation
lfhuang
- [Pw_forum] one question on |psi|^2
Paolo Giannozzi
- [Pw_forum] one question on |psi|^2
lfhuang
- [Pw_forum] Error of GWW in running head.x
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] one question on |psi|^2
Paolo Giannozzi
- [Pw_forum] internal energy
Jiayu Dai
- [Pw_forum] Sound velocity calculation
Pavel B Sorokin
- [Pw_forum] internal energy
Stefano Baroni
- [Pw_forum] graph of band structure of bi layer graphene
Elie Moujaes
- [Pw_forum] Occupation matrix in LDA+U
elbuesta at icqmail.com
- [Pw_forum] Occupation matrix in LDA+U
Matteo Cococcioni
- [Pw_forum] graph of band structure of bi layer graphene
Paolo Giannozzi
- [Pw_forum] phonon dos of Fe
Fang, Yuan
- [Pw_forum] graph of band structure of bi layer graphene
Elie Moujaes
- [Pw_forum] one question on |psi|^2
lfhuang
- [Pw_forum] internal energy
Jiayu Dai
- [Pw_forum] internal energy
O. Baris Malcioglu
- [Pw_forum] internal energy
Jiayu Dai
- [Pw_forum] B3LYP: two conflicting matching values
Carlo Nervi
- [Pw_forum] B3LYP: two conflicting matching values
Lorenzo Paulatto
- [Pw_forum] B3LYP: two conflicting matching values
Carlo Nervi
- [Pw_forum] Occupation matrix in LDA+U
elbuesta at icqmail.com
- [Pw_forum] B3LYP: two conflicting matching values
Carlo Nervi
- [Pw_forum] flow-chart in PWSCF
S. K. S.
- [Pw_forum] B3LYP: two conflicting matching values
Dal Corso Andrea
- [Pw_forum] flow-chart in PWSCF
Ngoc Linh Nguyen
- [Pw_forum] B3LYP: two conflicting matching values
Carlo Nervi
- [Pw_forum] B3LYP: two conflicting matching values
Dal Corso Andrea
- [Pw_forum] PP generation for specific exchange and correlation
Keitel Cervantes Salguero
- [Pw_forum] value of adir
Ihsan Erikat
- [Pw_forum] value of adir
Ngoc Linh Nguyen
- [Pw_forum] Fortran compiler
Henning Glawe
- [Pw_forum] hi
Thaneshwor Kaloni
- [Pw_forum] hi
Ngoc Linh Nguyen
- [Pw_forum] Phonon calculations - separating modes
Sheena Shah
- [Pw_forum] Phonon calculations - separating modes
Vo, Trinh (388C)
- [Pw_forum] Sorry for mis-sending an email
Vo, Trinh (388C)
- [Pw_forum] Phonon calculations - separating modes
Sheena Shah
- [Pw_forum] Input to calculate band structure of bi layer graphene
Elie Moujaes
- [Pw_forum] Input to calculate band structure of bi layer graphene
Pavel B Sorokin
- [Pw_forum] phonon calculation for silicon
mohnish pandey
- [Pw_forum] phonon calculation for silicon
Amandeep Kaur
- [Pw_forum] phonon calculation for silicon
mohnish pandey
- [Pw_forum] (no subject)
sylvia mueni
- [Pw_forum] projector for local channel in ultrasoft pseudopotential
asubedi
- [Pw_forum] hi
Thaneshwor Kaloni
- [Pw_forum] problems with Ta2O5 compound
Maxim Ivanov
- [Pw_forum] magnesium diboride
Nicholas Muthaka
- [Pw_forum] Fw: magnesium diboride
Nicholas Muthaka
- [Pw_forum] PLUMED plug-in for quantum ESPRESSO available
marsamos at democritos.it
- [Pw_forum] phonon dispersion for graphene
Elie Moujaes
- [Pw_forum] phonon dispersion for graphene
Ngoc Linh Nguyen
- [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP
Ashutosh Kumar
- [Pw_forum] (no subject)
Gabriele Sclauzero
- [Pw_forum] about xcrysden
Shaptrishi Sharma
- [Pw_forum] phonon dispersion for graphene
Elie Moujaes
- [Pw_forum] phonon dispersion for graphene
Paolo Giannozzi
- [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP
Paolo Giannozzi
- [Pw_forum] problems with Ta2O5 compound
Paolo Giannozzi
- [Pw_forum] hi
Paolo Giannozzi
- [Pw_forum] phonon dispersion for graphene
Elie Moujaes
- [Pw_forum] phonon dispersion for graphene
Paolo Giannozzi
- [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP
Ashutosh Kumar
- [Pw_forum] phonon dispersion for graphene
Elie Moujaes
- [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP
Stefano de Gironcoli
Last message date:
Wed Mar 31 23:30:11 CEST 2010
Archived on: Wed Mar 31 23:31:05 CEST 2010
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