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[Pw_forum] can pwscf compute elastic constant?
bamidele ibrahim
[Pw_forum] can pwscf compute elastic constant?
Stefano Baroni
[Pw_forum] can pwscf compute elastic constant?
Hongsheng Zhao
[Pw_forum] phonon partial density
lucking-pine
[Pw_forum] phonon partial density
Sanjeev Gupta
[Pw_forum] phonon partial density
lucking-pine
[Pw_forum] Charge Density
Mehrnoosh Hazrati
[Pw_forum] Charge Density
GAO Zhe
[Pw_forum] Charge Density
Mehrnoosh Hazrati
[Pw_forum] charge density
Mansoureh Pashangpour
[Pw_forum] charge density
mohaddeseh abbasnejad
[Pw_forum] charge density
Paolo Giannozzi
[Pw_forum] charge density
Giovanni La Penna
[Pw_forum] Charge Density
henry odhiambo
[Pw_forum] Charge Density
Paolo Giannozzi
[Pw_forum] phonon calculation error
kangb...@lycos.co.kr
[Pw_forum] ACOUSTIC SUM RULES
mayank gupta
[Pw_forum] About q2r.x problem
yhho
[Pw_forum] About q2r.x problem
Lorenzo Paulatto
[Pw_forum] switch the direction of electric field
Q.J.Wang
[Pw_forum] The overestimation of graphite lattice using vc-relax+vdW-DF
WANG Wei
[Pw_forum] The overestimation of graphite lattice using vc-relax+vdW-DF
WANG Wei
[Pw_forum] The overestimation of graphite lattice using vc-relax+vdW-DF
Paolo Giannozzi
[Pw_forum] Problems with vc-relaxed calculation
WANG Wei
[Pw_forum] Problems with vc-relaxed calculation
Vikas Varshney
[Pw_forum] Problems with vc-relaxed calculation
WANG Wei
[Pw_forum] Problems with vc-relaxed calculation
Paolo Giannozzi
[Pw_forum] Problems with vc-relaxed calculation
WANG Wei
[Pw_forum] About the md in pwscf.
Hongsheng Zhao
[Pw_forum] About the md in pwscf.
Stefano Baroni
[Pw_forum] About the md in pwscf.
Hongsheng Zhao
[Pw_forum] About the md in pwscf.
Stefano Baroni
[Pw_forum] Problem with high accuracy and parallel ph.x (Mohammad Saghayezhian)
Mohammad Saghayezhian
[Pw_forum] Problem with high accuracy and parallel ph.x (Mohammad Saghayezhian)
Andrea Dal Corso
[Pw_forum] phonon at q=0
mayank gupta
[Pw_forum] phonon at q=0
Stefano Baroni
[Pw_forum] Phonon at q=0
mayank gupta
[Pw_forum] Phonon at q=0
Stefano Baroni
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Masoud Nahali
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Paolo Giannozzi
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Masoud Nahali
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Paolo Giannozzi
[Pw_forum] 回复: Re: libmkl_intel_lp64 (QE 4.2 vs 4.3)
hqzhou
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Masoud Nahali
[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)
Stefano Baroni
[Pw_forum] charged defect in a unit cell
Tram Bui
[Pw_forum] charged defect in a unit cell
Giuseppe Mattioli
[Pw_forum] charged defect in a unit cell
Hongsheng Zhao
[Pw_forum] charged defect in a unit cell
Tram Bui
[Pw_forum] charged defect in a unit cell
Giuseppe Mattioli
[Pw_forum] Query regarding real space interatomic force constant
Sandeep Kumar
[Pw_forum] Query regarding real space interatomic force constant
Stefano Baroni
[Pw_forum] error in vc-md at 700K, 72GPa calculations
WANG Wei
[Pw_forum] error in vc-md at 700K, 72GPa calculations
Paolo Giannozzi
[Pw_forum] error in vc-md at 700K, 72GPa calculations
WANG Wei
[Pw_forum] error in vc-md at 700K, 72GPa calculations
Hongsheng Zhao
[Pw_forum] error in vc-md at 700K, 72GPa calculations
Stefano de Gironcoli
[Pw_forum] error in vc-md at 700K, 72GPa calculations
Hongsheng Zhao
[Pw_forum] error in vc-md at 700K, 72GPa calculations
WANG Wei
[Pw_forum] error in vc-md at 700K, 72GPa calculations
Paolo Giannozzi
[Pw_forum] MD+vdW-DF is not implemented?
WANG Wei
[Pw_forum] MD+vdW-DF is not implemented?
Giuseppe Mattioli
[Pw_forum] MD+vdW-DF is not implemented?
WANG Wei
[Pw_forum] MD+vdW-DF is not implemented?
Paolo Giannozzi
[Pw_forum] MD+vdW-DF is not implemented?
WANG Wei
[Pw_forum] how to calculate elastic constants
bamidele ibrahim
[Pw_forum] how to calculate elastic constants
Nicola Marzari
[Pw_forum] how to calculate elastic constants
Sanjeev Gupta
[Pw_forum] how to calculate elastic constants
Hongsheng Zhao
[Pw_forum] how to calculate elastic constants
Hongsheng Zhao
[Pw_forum] how to calculate elastic constants
GAO Zhe
[Pw_forum] how to calculate elastic constants
bamidele ibrahim
[Pw_forum] How to use the wave functions
yaohua tan
[Pw_forum] How to use the wave functions
mohnish pandey
[Pw_forum] How to use the wave functions
Ge Xiaochuan
[Pw_forum] Problem with high accuracy and parallel ph.x
Mohammad Saghayezhian
[Pw_forum] Problem with high accuracy and parallel ph.x
Stefano Baroni
[Pw_forum] Problem with high accuracy and parallel ph.x
Mohammad Saghayezhian
[Pw_forum] Problem with high accuracy and parallel ph.x
Stefano de Gironcoli
[Pw_forum] Problem with high accuracy and parallel ph.x
Andrea Dal Corso
[Pw_forum] Low energy phonon modes
Sanjeev Gupta
[Pw_forum] Low energy phonon modes
Stefano Baroni
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Hongsheng Zhao
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
jia chen
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Hongsheng Zhao
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Paolo Giannozzi
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Hongsheng Zhao
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Stefano de Gironcoli
[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Hongsheng Zhao
[Pw_forum] Pw_forum Digest, Vol 48, Issue 71
Deyu Lu
[Pw_forum] Pw_forum Digest, Vol 48, Issue 71
Nicola Marzari
[Pw_forum] Pw_forum Digest, Vol 48, Issue 71
Paolo Giannozzi
[Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.
Hongsheng Zhao
[Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.
jia chen
[Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.
Hongsheng Zhao
[Pw_forum] phonon calculation
Mohammad Saghayezhian
[Pw_forum] phonon calculation
Abolore Musari
[Pw_forum] phonon calculation
Stefano Baroni
[Pw_forum] phonon calculation
GAO Zhe
[Pw_forum] phonon calculation
farouk boutaiba
[Pw_forum] phonon calculation
Bramha Pandey
[Pw_forum] phonon calculation
farouk boutaiba
[Pw_forum] phonon calculation
Paolo Giannozzi
[Pw_forum] phonon calculation
Banafshe Noori
[Pw_forum] phonon calculation
xirainbow
[Pw_forum] phonon calculation
Banafshe Noori
[Pw_forum] phonon calculation
xirainbow
[Pw_forum] phonon calculation
Banafshe Noori
[Pw_forum] Phonon calculation
Uri Argaman
[Pw_forum] Phonon calculation
Paolo Giannozzi
[Pw_forum] Phonon calculation
Uri Argaman
[Pw_forum] phonon calculation
yelena
[Pw_forum] phonon calculation
xirainbow
[Pw_forum] phonon calculation
yelena
[Pw_forum] phonon calculation
Iyad AL-QASIR
[Pw_forum] phonon calculation
Saied Md Pratik
[Pw_forum] phonon calculation
Paolo Giannozzi
[Pw_forum] vcut_get; q vector out of the grid ERROR
Ankit
[Pw_forum] vcut_get; q vector out of the grid ERROR
Paolo Giannozzi
[Pw_forum] vcut_get; q vector out of the grid ERROR
Layla Martin-Samos
[Pw_forum] vcut_get; q vector out of the grid ERROR
rauleg
[Pw_forum] vcut_get; q vector out of the grid ERROR
Layla Martin-Samos
[Pw_forum] phonon Calculation
Saied Md Pratik
[Pw_forum] phonon Calculation
Paolo Giannozzi
[Pw_forum] phonon calculation
Masoud Avi
[Pw_forum] Phonon calculation
Vincenzo Verdolino
[Pw_forum] Phonon calculation
Andrea Dal Corso
[Pw_forum] Phonon calculation
Vincenzo Verdolino
[Pw_forum] Phonon calculation
jzlhu...@gmail.com
[Pw_forum] Phonon calculation
Vincenzo Verdolino
[Pw_forum] Phonon calculation
Xiaolong Zhang
[Pw_forum] Phonon calculation
Vincenzo Verdolino
[Pw_forum] oxygen pseudopotential in tio2
Deyu Lu
[Pw_forum] oxygen pseudopotential in tio2
Paolo Giannozzi
[Pw_forum] oxygen pseudopotential in tio2
Nicola Marzari
[Pw_forum] oxygen pseudopotential in tio2
Paolo Giannozzi
[Pw_forum] oxygen pseudopotential in tio2
mohaddeseh abbasnejad
[Pw_forum] Pw_forum Digest, Vol 48, Issue 68
Brad Malone
[Pw_forum] including vdwl interactions during phonon calculations
Vikas Varshney
[Pw_forum] including vdwl interactions during phonon calculations
Stefano de Gironcoli
[Pw_forum] including vdwl interactions during phonon calculations
Vikas Varshney
[Pw_forum] (no subject)
yuva rani
[Pw_forum] (no subject)
yuva rani
[Pw_forum] (no subject)
Vi Vo
[Pw_forum] (no subject)
Lorenzo Paulatto
[Pw_forum] (no subject)
Vi Vo
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
Vi Vo
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
Lorenzo Paulatto
[Pw_forum] (no subject)
Mahdi Faqieh nasiri
[Pw_forum] (no subject)
zafar rasheed
[Pw_forum] Dehydration reaction with QE
Guntram Schmidt
[Pw_forum] (no subject)
Cao TF
[Pw_forum] (no subject)
Gabriele Sclauzero
[Pw_forum] (no subject)
Winfred Mulwa
[Pw_forum] (no subject)
Phillip Nyawere
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
Xijun Wang
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
mike at.
[Pw_forum] (no subject)
Winfred Mulwa
[Pw_forum] [SUSPECTED SPAM-Ironport] (no subject)
Giuseppe Mattioli
[Pw_forum] (no subject)
Changru Ma
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
GAO Zhe
[Pw_forum] (no subject)
GAO Zhe
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
Padmaja Patnaik
[Pw_forum] (no subject)
Izaak Williamson
[Pw_forum] Parameters for a model Hamiltonian
Izaak Williamson
[Pw_forum] (no subject)
PLN Murty
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
F Anis
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
Mahdi Faqieh nasiri
[Pw_forum] (no subject)
debbichi mourad
[Pw_forum] LDA+U.
debbichi mourad
[Pw_forum] LDA+U.
Giuseppe Mattioli
[Pw_forum] LDA+U.
Mojtaba Rahimi
[Pw_forum] (no subject)
Ali Tavana
[Pw_forum] VCA (was: no subject)
Paolo Giannozzi
[Pw_forum] VCA (was: no subject)
Ali Tavana
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
bhabya sahoo
[Pw_forum] (no subject)
Paolo Giannozzi
[Pw_forum] (no subject)
giacsp...@libero.it
[Pw_forum] (no subject)
Layla Martin-Samos
[Pw_forum] (no subject)
Divya Srivastava
[Pw_forum] (no subject)
Stefano Baroni
[Pw_forum] (no subject)
Banafshe Noori
[Pw_forum] (no subject)
Stefano Baroni
[Pw_forum] (no subject)
Banafshe Noori
[Pw_forum] (no subject)
Stefano Baroni
[Pw_forum] (no subject)
Axel Kohlmeyer
[Pw_forum] (no subject)
Divya Srivastava
[Pw_forum] (no subject)
ramzi alaya
[Pw_forum] (no subject)
Abdeslam HOUARI
Earlier messages
Later messages