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[Pw_forum] how to calculate magnetic moment on each atoms
patriot pershing
[Pw_forum] RE : how to calculate magnetic moment on each atoms
BARRETEAU Cyrille
[Pw_forum] how to calculate magnetic moment on each atoms
Arles V. Gil Rebaza
[Pw_forum] how to calculate magnetic moment on each atoms
patriot pershing
[Pw_forum] Can we obtain anharmonic vibration energy from s3.x?
GAO Zhe
[Pw_forum] nspin=1 in NEB calculation
He Jinghui
[Pw_forum] nspin=1 in NEB calculation
Guido Fratesi
[Pw_forum] nspin=1 in NEB calculation
He Jinghui
[Pw_forum] nspin=1 in NEB calculation
Guido Fratesi
[Pw_forum] problem with ibrav = -12
jose manuel menendez montes
[Pw_forum] problem with ibrav = -12
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Ashish Kumar
[Pw_forum] problem in vc-relax
Stefano de Gironcoli
[Pw_forum] problem in vc-relax
Arles V. Gil Rebaza
[Pw_forum] problem in vc-relax
vkarthik
[Pw_forum] problem in vc-relax
Alexander G. Kvashnin
[Pw_forum] problem in vc-relax
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Alexander G. Kvashnin
[Pw_forum] problem in vc-relax
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Alexander G. Kvashnin
[Pw_forum] problem in vc-relax
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Alexander G. Kvashnin
[Pw_forum] problem in vc-relax
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Lars Matthes
[Pw_forum] problem in vc-relax
Paolo Giannozzi
[Pw_forum] problem in vc-relax
Mike Mehl
[Pw_forum] A Question about ILDOS on different planes
pari shok
[Pw_forum] A Question about ILDOS on different planes
Gabriele Sclauzero
[Pw_forum] A Question about ILDOS on different planes
pari shok
[Pw_forum] A Question about ILDOS on different planes
Gabriele Sclauzero
[Pw_forum] A Question about ILDOS on different planes
Guido Fratesi
[Pw_forum] CuO bulk Error during compilation
ambesh dixit
[Pw_forum] CuO bulk Error during compilation
GAO Zhe
[Pw_forum] CuO bulk Error during compilation
Michael Sullivan
[Pw_forum] images and pools
Charlie Eppes
[Pw_forum] images and pools
Paolo Giannozzi
[Pw_forum] GADGET and PWSCF
Alex Shearer
[Pw_forum] GADGET and PWSCF
Lorenzo Paulatto
[Pw_forum] ESM and spin polarized ionic relaxations
Alejandro Suarez
[Pw_forum] Spin polarization
Éric Germaneau
[Pw_forum] installing input file builder: gdis-0.99
He Jinghui
[Pw_forum] installing input file builder: gdis-0.99
GAO Zhe
[Pw_forum] installing input file builder: gdis-0.99
Éric Germaneau
[Pw_forum] installing input file builder: gdis-0.99
He Jinghui
[Pw_forum] installing input file builder: gdis-0.99
Éric Germaneau
[Pw_forum] installing input file builder: gdis-0.99
Éric Germaneau
[Pw_forum] installing input file builder: gdis-0.99
Éric Germaneau
[Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
[Pw_forum] Graphene Sheet with Antidots
Masoud
[Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
[Pw_forum] Graphene Sheet with Antidots
Paolo Giannozzi
[Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
[Pw_forum] Graphene Sheet with Antidots
Paolo Giannozzi
[Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
[Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
[Pw_forum] Graphene Sheet with Antidots
Paolo Giannozzi
[Pw_forum] projwfc.x error
Zhiting Tian
[Pw_forum] projwfc.x error
Paolo Giannozzi
[Pw_forum] projwfc.x error
Zhiting Tian
[Pw_forum] Error running dos.x
Zhiting Tian
[Pw_forum] Error running dos.x
GAO Zhe
[Pw_forum] Error running dos.x
Zhiting Tian
[Pw_forum] Charge density: what min and max values represent?
Tram Bui
[Pw_forum] problem in xspectra calculations
Niharika Joshi
[Pw_forum] problem in xspectra calculations
Paolo Giannozzi
[Pw_forum] problem in xspectra calculations
Niharika Joshi
[Pw_forum] problem in xspectra calculations
Niharika Joshi
[Pw_forum] problem in xspectra calculations
Paolo Giannozzi
[Pw_forum] problem in xspectra calculations
Niharika Joshi
[Pw_forum] problem in xspectra calculations
Ari P Seitsonen
[Pw_forum] problem in xspectra calculations
Paolo Giannozzi
[Pw_forum] problem in xspectra calculations
Niharika Joshi
[Pw_forum] problem about ibrav no.
amar shugani
[Pw_forum] problem about ibrav no.
GAO Zhe
[Pw_forum] Magnetic Anisotropy using PAW
Izaak Williamson
[Pw_forum] PostProcessing the .save file on another machine
vkarthik
[Pw_forum] PostProcessing the .save file on another machine
Paolo Giannozzi
[Pw_forum] Finding effective mass
Padmaja Patnaik
[Pw_forum] Finding effective mass
Paolo Giannozzi
[Pw_forum] Finding effective mass
Eduardo Ariel Menendez Proupin
[Pw_forum] mpif90 compiler that uses ifort
Ahmad Yassin
[Pw_forum] mpif90 compiler that uses ifort
Jeff Mullen
[Pw_forum] mpif90 compiler that uses ifort
GAO Zhe
[Pw_forum] mpif90 compiler that uses ifort
Ahmad Yassin
[Pw_forum] Problem of the energy of orbital in ld1.x with
WF
[Pw_forum] Problem of the energy of orbital in ld1.x with
Paolo Giannozzi
[Pw_forum] Problem of the energy of orbital in ld1.x with
WF
[Pw_forum] DOS calculation for hexagonal Ge2Sb2Te5 (GST)
henry odhiambo
[Pw_forum] DOS calculation for hexagonal Ge2Sb2Te5 (GST)
Paolo Giannozzi
[Pw_forum] Too many bands are not converged from nscf calculation
Zhiting Tian
[Pw_forum] Too many bands are not converged from nscf calculation
giuseppe.matti...@mlib.ism.cnr.it
[Pw_forum] Too many bands are not converged from nscf calculation
Zhiting Tian
[Pw_forum] Too many bands are not converged from nscf calculation
Giuseppe Mattioli
[Pw_forum] Too many bands are not converged from nscf calculation
Yun song,Kang
[Pw_forum] Too many bands are not converged from nscf calculation
Zhiting Tian
[Pw_forum] error in example01
Mahdi Faqieh nasiri
[Pw_forum] error in example01
Paolo Giannozzi
[Pw_forum] Problem of the energy of orbital in ld1.x with PDOS
WF
[Pw_forum] Problem of the energy of orbital in ld1.x with PDOS
GAO Zhe
[Pw_forum] Problem of the energy of orbital in ld1.x with PDOS
WF
[Pw_forum] Problem of the energy of orbital in ld1.x with PDOS
Paolo Giannozzi
[Pw_forum] a request
Mehrnoosh Hazrati
[Pw_forum] a request
Stefano Baroni
[Pw_forum] LDOS on parallel planes
pari shok
[Pw_forum] Does VCA method give positive formation energy?
GAO Zhe
[Pw_forum] band structure calculation
Tram Bui
[Pw_forum] band structure calculation
mike at.
[Pw_forum] band structure calculation
Tram Bui
[Pw_forum] band structure calculation
mike at.
[Pw_forum] Band Structure calculation
MISSAOUI Jamil
[Pw_forum] Band Structure calculation
stefano de gironcoli
[Pw_forum] Band Structure calculation
MISSAOUI Jamil
[Pw_forum] semi conducting / metallic
swapnil chandratre
[Pw_forum] charge density map
Tram Bui
[Pw_forum] charge density map
Stefano Baroni
[Pw_forum] Symmetry problem in phonon
mayank gupta
[Pw_forum] Other example with cpx problem on qe-43
Luis Antonio Leon Martinez
[Pw_forum] stable phase
bhabya sahoo
[Pw_forum] stable phase
Mike Mehl
[Pw_forum] from cp_read_cell : error # 2
Luis Antonio Leon Martinez
[Pw_forum] from cp_read_cell : error # 2
Paolo Giannozzi
[Pw_forum] from cp_read_cell : error # 2
Luis Antonio Leon Martinez
[Pw_forum] from cp_read_cell : error # 2
Paolo Giannozzi
[Pw_forum] NEB procedure
Ettore Baldini-Neto
[Pw_forum] NEB procedure
Layla Martin-Samos
[Pw_forum] NEB procedure
Ettore Baldini-Neto
[Pw_forum] NEB procedure
Tone Kokalj
[Pw_forum] NEB procedure
Ettore Baldini-Neto
[Pw_forum] epsilon.x and scissor shift renormalization of momentum operator
Eduardo Ariel Menendez Proupin
[Pw_forum] LDA norm-conserving pseudopotential for Fe: to Pengju Ren
he...@fh.huji.ac.il
[Pw_forum] LDA norm-conserving pseudopotential for Fe: to Pengju Ren
Paolo Giannozzi
[Pw_forum] FFT on a small mesh
dario rocca
[Pw_forum] FFT on a small mesh
Paolo Giannozzi
[Pw_forum] FFT on a small mesh
Stefano Baroni
[Pw_forum] Questions about pseudopotential generation.
Daniel Lima
[Pw_forum] Questions about pseudopotential generation.
Ary Junior
[Pw_forum] Questions about pseudopotential generation.
Emine Kucukbenli
[Pw_forum] charge density plot in xcrysden
Tram Bui
[Pw_forum] charge density plot in xcrysden
Stefano Baroni
[Pw_forum] charge density plot in xcrysden
Tone Kokalj
[Pw_forum] BoltzTrap interface
Payam Norouzzadeh
[Pw_forum] cluster timing & delay -v.lousy way-
Mona M.O. Elfadil
[Pw_forum] cluster timing & delay -v.lousy way-
Changru Ma
[Pw_forum] cluster timing & delay -v.lousy way-
Mona M.O. Elfadil
[Pw_forum] cluster timing & delay -v.lousy way-
GAO Zhe
[Pw_forum] .SAVE files
pari shok
[Pw_forum] .SAVE files
Paolo Giannozzi
[Pw_forum] Xe pseudopotentials
Chen, Zhifan
[Pw_forum] Xe pseudopotentials
lucking-pine
[Pw_forum] problems with examples
Jose Luis Gordillo Ruiz
[Pw_forum] problems with examples
Paolo Giannozzi
[Pw_forum] problems with examples
Jose Luis Gordillo Ruiz
[Pw_forum] problems with examples
Paolo Giannozzi
[Pw_forum] BltzTrap interface
Payam Norouzzadeh
[Pw_forum] BltzTrap interface
Paolo Giannozzi
[Pw_forum] hgh to UPF
giacsp...@libero.it
[Pw_forum] hgh to UPF
Paolo Giannozzi
[Pw_forum] hgh to UPF
Carsten
[Pw_forum] hgh to UPF
Layla Martin-Samos
[Pw_forum] Ge pseudopotential
damien
[Pw_forum] Ge pseudopotential
Paolo Giannozzi
[Pw_forum] Doping semiconductor
bamidele ibrahim
[Pw_forum] Doping semiconductor
Arles V. Gil Rebaza
[Pw_forum] pw.x error running on cluster
Ren PJ
[Pw_forum] pw.x error running on cluster
Ramesh Kumar
[Pw_forum] pw.x error running on cluster
Ren PJ
[Pw_forum] 64 bit GPU-enabled QE
Giovani Faccin
[Pw_forum] 64 bit GPU-enabled QE
Eric Germaneau
[Pw_forum] about raman?
lucking-pine
[Pw_forum] about raman?
Eduardo Ariel Menendez Proupin
[Pw_forum] about raman?
Paolo Giannozzi
[Pw_forum] warning: symmetry operation # x not allowed
swapnil chandratre
[Pw_forum] warning: symmetry operation # x not allowed
Stefano de Gironcoli
[Pw_forum] from check_atoms : error # : Problem solved
ramesh kumar
[Pw_forum] Regarding Structral optimization
konda
[Pw_forum] Pw_forum Digest, Vol 51, Issue 44
kondaiah samudrala
[Pw_forum] Pw_forum Digest, Vol 51, Issue 43
maaly
[Pw_forum] problem in plot bandstructure
Mahdi Faqieh nasiri
[Pw_forum] problem in plot bandstructure
Mahdi Faqieh nasiri
[Pw_forum] from check_atoms : error #
ramesh kumar
[Pw_forum] from check_atoms : error #
GAO Zhe
[Pw_forum] from check_atoms : error #
mohnish pandey
[Pw_forum] Error: fft order too large
WF
[Pw_forum] Error: fft order too large
Paolo Giannozzi
[Pw_forum] A psudopotential for Manganese (LDA NC)
giacsp...@libero.it
[Pw_forum] A psudopotential for Manganese (LDA NC)
Ren PJ
[Pw_forum] modifying sumpdos.f90
maaly
[Pw_forum] modifying sumpdos.f90
Duy Le
[Pw_forum] modifying sumpdos.f90
Stefano Baroni
[Pw_forum] modifying sumpdos.f90
Guido Fratesi
[Pw_forum] regarding structural optimization
kondaiah samudrala
[Pw_forum] regarding structural optimization
GAO Zhe
[Pw_forum] regarding structural optimization
konda
[Pw_forum] Regarding structural optimization
kondaiah samudrala
[Pw_forum] Convergence problem with Ni/Ni3Al system
mart...@if.uff.br
[Pw_forum] Convergence problem with Ni/Ni3Al system
elbue...@icqmail.com
[Pw_forum] Cu PP for LDA+U
Vo, Trinh (388C)
[Pw_forum] Cu PP for LDA+U
Matteo Cococcioni
[Pw_forum] Cu PP for LDA+U
Vo, Trinh (388C)
[Pw_forum] phonon dispersion from IFC
Claudio Perottoni
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