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Messages by Date

• 2013/10/11 [Pw_forum] problem with gap Arles V. Gil Rebaza
• 2013/10/11 [Pw_forum] problem with gap Halima Zaari
• 2013/10/11 [Pw_forum] Suggested cutoff for wfc and rho - reg., Julen Larrucea
• 2013/10/11 [Pw_forum] XYZ format Paolo Giannozzi
• 2013/10/11 [Pw_forum] Suggested cutoff for wfc and rho - reg., Paolo Giannozzi
• 2013/10/11 [Pw_forum] Suggested cutoff for wfc and rho - reg., Muthu V
• 2013/10/10 [Pw_forum] XYZ format Mike Klymenko
• 2013/10/10 [Pw_forum] XYZ format Giovanni Cantele
• 2013/10/10 [Pw_forum] XYZ format Saleem Ayaz
• 2013/10/10 [Pw_forum] MPI Paolo Giannozzi
• 2013/10/10 [Pw_forum] negative frequencies.... Paolo Giannozzi
• 2013/10/10 [Pw_forum] MPI Mike Klymenko
• 2013/10/10 [Pw_forum] negative frequencies.... Uri Argaman
• 2013/10/10 [Pw_forum] Phonon calculation Uri Argaman
• 2013/10/09 [Pw_forum] MPI Mike Klymenko
• 2013/10/09 [Pw_forum] MPI Paolo Giannozzi
• 2013/10/09 [Pw_forum] MPI Lorenzo Paulatto
• 2013/10/09 [Pw_forum] MPI Mike Klymenko
• 2013/10/09 [Pw_forum] Problem of XCrySDen launching Lorenzo Paulatto
• 2013/10/09 [Pw_forum] Problem of XCrySDen launching Paolo Giannozzi
• 2013/10/09 [Pw_forum] QE 5.0.2 : bands.x fails to work, even in examples Tikhonov Evgeny
• 2013/10/09 [Pw_forum] QE 5.0.2 : bands.x fails to work, even in examples Paolo Giannozzi
• 2013/10/09 [Pw_forum] QE 5.0.2 : bands.x fails to work, even in examples Tikhonov Evgeny
• 2013/10/08 [Pw_forum] Problem of XCrySDen launching Jeffrey De Lile
• 2013/10/08 [Pw_forum] Problem of XCrySDen launching Luis Antonio Leon Martinez
• 2013/10/08 [Pw_forum] Problem of XCrySDen launching Jeffrey De Lile
• 2013/10/08 [Pw_forum] Describing PBE.UPF with VdW-DF2? Rohling, R.
• 2013/10/08 [Pw_forum] electrode potential David Grifith
• 2013/10/07 [Pw_forum] Phonon calculation Paolo Giannozzi
• 2013/10/06 [Pw_forum] Phonon calculation Uri Argaman
• 2013/10/06 [Pw_forum] About Theta_D file discription Peram sreenivasa reddy
• 2013/10/03 [Pw_forum] Calculation of FES using constrained MD simulations Ananya Mondal
• 2013/10/03 [Pw_forum] Pseudopotential format for virtual.x Rui Mao
• 2013/10/03 [Pw_forum] Error trying to recover aborted ph.x run W2AGZ
• 2013/10/03 [Pw_forum] Phonon dispersion Sanjeev Gupta
• 2013/10/03 [Pw_forum] Phonon dispersion Chukwuemeka Okoye
• 2013/10/03 [Pw_forum] About Theta_D file discription Peram sreenivasa reddy
• 2013/10/03 [Pw_forum] Will "asr=simple", will work for Gamma point only. Peram sreenivasa reddy
• 2013/10/02 [Pw_forum] RE Meaning for outputs of D3.X Hugo LEVARD
• 2013/10/02 [Pw_forum] Meaning for outputs of D3.X Payam Norouzzadeh
• 2013/10/02 [Pw_forum] pp.x name=LDA_PLUS_U_KIND (developers) Paolo Giannozzi
• 2013/10/02 [Pw_forum] pp.x name=LDA_PLUS_U_KIND (developers) Fernando Reboredo
• 2013/10/02 [Pw_forum] pp.x input Sakhrawi Taoufek
• 2013/10/02 [Pw_forum] pp.x input Giuseppe Mattioli
• 2013/10/02 [Pw_forum] pp.x input Fernando Reboredo
• 2013/10/02 [Pw_forum] (no subject) eariel99 .
• 2013/10/01 [Pw_forum] ev.x shiva mokhavat
• 2013/10/01 [Pw_forum] ev.x shiva mokhavat
• 2013/10/01 [Pw_forum] problem with vaccum Halima Zaari
• 2013/10/01 [Pw_forum] How to orthonormalize evc Fadjar Fathurrahman
• 2013/10/01 [Pw_forum] How to orthonormalize evc Fadjar Fathurrahman
• 2013/09/30 [Pw_forum] problem with vaccum Lorenzo Paulatto
• 2013/09/30 [Pw_forum] problem with vaccum Halima Zaari
• 2013/09/30 [Pw_forum] Pseudopotential for Titanium (Ti) Paolo Giannozzi
• 2013/09/30 [Pw_forum] Pseudopotential for Titanium (Ti) Axel Kohlmeyer
• 2013/09/30 [Pw_forum] Pseudopotential for Titanium (Ti) Romeda Azeen
• 2013/09/30 [Pw_forum] How to orthonormalize evc Paolo Giannozzi
• 2013/09/30 [Pw_forum] How to orthonormalize evc Emine Kucukbenli
• 2013/09/30 [Pw_forum] How to orthonormalize evc Fadjar Fathurrahman
• 2013/09/29 [Pw_forum] Problem With Spin-Unrestricted Calculation for Adsorbed Singlet O2 Paolo Giannozzi
• 2013/09/28 [Pw_forum] Compare stability of interface and define work of separation? Yue-Wen Fang
• 2013/09/28 [Pw_forum] Problem With Spin-Unrestricted Calculation for Adsorbed Singlet O2 Vic Bermudez
• 2013/09/28 [Pw_forum] want to calculate Thermal expansion coefficient and Gruneisen parameter Nicki Frank Hinsche
• 2013/09/28 [Pw_forum] time of scf and nscf computations Mike Klymenko
• 2013/09/28 [Pw_forum] Using energy/wavefunctions from last calculation for next calculation Mitul Mundra
• 2013/09/28 [Pw_forum] time of scf and nscf computations Lorenzo Paulatto
• 2013/09/28 [Pw_forum] time of scf and nscf computations Paolo Giannozzi
• 2013/09/27 [Pw_forum] post-doc and research aide positions at ALCF Nichols A. Romero
• 2013/09/27 [Pw_forum] time of scf and nscf computations Mike Klymenko
• 2013/09/27 [Pw_forum] want to calculate Thermal expansion coefficient and Gruneisen parameter Peram sreenivasa reddy
• 2013/09/27 [Pw_forum] spin orbit and custom occupations Andrea Dal Corso
• 2013/09/26 [Pw_forum] spin orbit and custom occupations Julen Larrucea
• 2013/09/26 [Pw_forum] q2r.x error yelena
• 2013/09/25 [Pw_forum] bands.x help-resubmitted Paolo Giannozzi
• 2013/09/25 [Pw_forum] bands.x help-resubmitted nuri oncel
• 2013/09/25 [Pw_forum] bands.x help-resubmitted nuri oncel
• 2013/09/25 [Pw_forum] bands.x help-resubmitted Pietro Bonfa'
• 2013/09/25 [Pw_forum] bands.x help-resubmitted nuri oncel
• 2013/09/25 [Pw_forum] bands.x help nuri oncel
• 2013/09/25 [Pw_forum] spin orbit and custom occupations Andrea Dal Corso
• 2013/09/25 [Pw_forum] What is the correct Dipole and potential amp. Ratio in output? yavar pour azar
• 2013/09/25 [Pw_forum] spin orbit and custom occupations Julen Larrucea
• 2013/09/24 [Pw_forum] Can I use resluts of gamma point to calculate the phonon dispersion curve? Peng Tao
• 2013/09/24 [Pw_forum] What is the relation between dipole, dipole field and potential amp in output file? yavar pour azar
• 2013/09/24 [Pw_forum] Can I use resluts of gamma point to calculate the phonon dispersion curve? stefano de gironcoli
• 2013/09/24 [Pw_forum] Only the rotation mode has imaginary frequency in 1 dimensional system Peng Tao
• 2013/09/23 [Pw_forum] Can I use resluts of gamma point to calculate the phonon dispersion curve? Peng Tao
• 2013/07/07 [Pw_forum] Ring Strain Sean Dunlevy
• 2013/07/07 [Pw_forum] Ring Strain Paolo Giannozzi
• 2013/07/07 [Pw_forum] Ring Strain Sean Dunlevy
• 2013/07/07 [Pw_forum] Smearing Functions Nicola Marzari
• 2013/07/06 [Pw_forum] Smearing Functions Ben Palmer
• 2013/07/05 [Pw_forum] QHA henry odhiambo
• 2013/07/05 [Pw_forum] A question about the spin density wave Chengyang Li
• 2013/07/05 [Pw_forum] A question about the spin density wave Chengyang Li
• 2013/07/05 [Pw_forum] error in routine electrons Vincenzo Verdolino
• 2013/07/04 [Pw_forum] easy question Varadharajan Srinivasan
• 2013/07/04 [Pw_forum] easy question [email protected]
• 2013/07/04 [Pw_forum] Cannot allocate memory Filippo Spiga
• 2013/07/04 [Pw_forum] High-spin and Low-spin configuration paresh rout
• 2013/07/04 [Pw_forum] Cannot allocate memory stefano de gironocoli
• 2013/07/04 [Pw_forum] Cannot allocate memory Kajal Jindal
• 2013/07/04 [Pw_forum] Formatting for the interatomic force constant Hongze Xia
• 2013/07/03 [Pw_forum] Formatting for the interatomic force constant Paolo Giannozzi
• 2013/07/03 [Pw_forum] Formatting for the interatomic force constant Hongze Xia
• 2013/07/03 [Pw_forum] ab-initio MD study of Delithiation in Li battery Nicola Marzari
• 2013/07/03 [Pw_forum] Non-collinear magnetism and the parameter angle1(i) Juan Manuel Ramírez de Arellano
• 2013/07/03 [Pw_forum] strange output of matdyn.x REI.BOND
• 2013/07/03 [Pw_forum] strange output of matdyn.x Paolo Giannozzi
• 2013/07/03 [Pw_forum] Dynamical matrix diagonalization: rdiagh vs rdiaghg Alexandr Fonari
• 2013/07/03 [Pw_forum] strange output of matdyn.x REI.BOND
• 2013/07/03 [Pw_forum] Problem with using pp.x Franklin Zhan
• 2013/07/03 [Pw_forum] error in installing espresso-5.0.2 Lorenzo Paulatto
• 2013/07/03 [Pw_forum] Problem with using pp.x Paolo Giannozzi
• 2013/07/03 [Pw_forum] error in installing espresso-5.0.2 Paolo Giannozzi
• 2013/07/03 [Pw_forum] runtime error : [btl_tcp_endpoint.c:655:mca_btl_tcp_endpoint_complete_connect] connect() to 192.168.5.164 failed: Connection refused (111) Mike Marchywka
• 2013/07/02 [Pw_forum] error in installing espresso-5.0.2 Pallavi Bothra
• 2013/07/02 [Pw_forum] runtime error : [btl_tcp_endpoint.c:655:mca_btl_tcp_endpoint_complete_connect] connect() to 192.168.5.164 failed: Connection refused (111) Axel Kohlmeyer
• 2013/07/02 [Pw_forum] runtime error : [btl_tcp_endpoint.c:655:mca_btl_tcp_endpoint_complete_connect] connect() to 192.168.5.164 failed: Connection refused (111) DHIRENDRA VAIDYA
• 2013/07/02 [Pw_forum] Problem with using pp.x Franklin Zhan
• 2013/07/02 [Pw_forum] runtime error : [btl_tcp_endpoint.c:655:mca_btl_tcp_endpoint_complete_connect] connect() to 192.168.5.164 failed: Connection refused (111) [email protected]
• 2013/07/02 [Pw_forum] runtime error : [btl_tcp_endpoint.c:655:mca_btl_tcp_endpoint_complete_connect] connect() to 192.168.5.164 failed: Connection refused (111) DHIRENDRA VAIDYA
• 2013/07/02 [Pw_forum] Need some help with wannier_ham.x J. D. Burton
• 2013/07/02 [Pw_forum] Dynamical matrix diagonalization: rdiagh vs rdiaghg Paolo Giannozzi
• 2013/07/02 [Pw_forum] Dynamical matrix diagonalization: rdiagh vs rdiaghg Alexandr Fonari
• 2013/07/02 [Pw_forum] Need some help with wannier_ham.x Paolo Giannozzi
• 2013/07/02 [Pw_forum] question of matdyn.x and dynmat.x REI.BOND
• 2013/07/02 [Pw_forum] vc-relax (one dimension supercell) REI.BOND
• 2013/07/02 [Pw_forum] help Yun Wang
• 2013/07/02 [Pw_forum] help Giuseppe Mattioli
• 2013/07/02 [Pw_forum] help samad zare
• 2013/07/02 [Pw_forum] vc-relax (one dimension supercell) Giuseppe Mattioli
• 2013/07/01 [Pw_forum] Binding energy of an interface mohnish pandey
• 2013/07/01 [Pw_forum] Binding energy of an interface Nguyen Chuong
• 2013/07/01 [Pw_forum] Binding energy of an interface Tram Bui
• 2013/07/01 [Pw_forum] vc-relax (one dimension supercell) REI.BOND
• 2013/07/01 [Pw_forum] vc-relax (one dimension supercell) REI.BOND
• 2013/07/01 [Pw_forum] vc-relax(supercell) REI.BOND
• 2013/07/01 [Pw_forum] Need some help with wannier_ham.x J. D. Burton
• 2013/07/01 [Pw_forum] error in routine electrons Lorenzo Paulatto
• 2013/07/01 [Pw_forum] Activation - BANDS.X and DOS.X - Muthu V
• 2013/07/01 [Pw_forum] error in routine electrons Vincenzo Verdolino
• 2013/07/01 [Pw_forum] error in routine electrons Paolo Giannozzi
• 2013/07/01 [Pw_forum] ab-initio MD study of Delithiation in Li battery Rouzbeh Shahsavari
• 2013/07/01 [Pw_forum] error in routine electrons Vincenzo Verdolino
• 2013/07/01 [Pw_forum] error in routine electrons Giuseppe Mattioli
• 2013/07/01 [Pw_forum] error in routine electrons Vincenzo Verdolino
• 2013/06/30 [Pw_forum] Inquires Yantao Wu
• 2013/06/30 [Pw_forum] Inquires Yun Wang
• 2013/06/30 [Pw_forum] Inquires Mahmoud Hammouri
• 2013/06/28 [Pw_forum] Hi all Muthu V
• 2013/06/28 [Pw_forum] plotting of the wfn with phases Duy Le
• 2013/06/28 [Pw_forum] one-dimensional material : phonon dispersion REI.BOND
• 2013/06/28 [Pw_forum] plotting of the wfn with phases Davide Tiana
• 2013/06/28 [Pw_forum] Magnetic Field Farzad Shirazian
• 2013/06/27 [Pw_forum] Magnetic Field J. D. Burton
• 2013/06/27 [Pw_forum] asr ="one-dim' REI.BOND
• 2013/06/27 [Pw_forum] Periodicity Mike Marchywka
• 2013/06/27 [Pw_forum] HgTe Nicola Marzari
• 2013/06/27 [Pw_forum] HgTe Lorenzo Paulatto
• 2013/06/27 [Pw_forum] Phonon calculations with QE > 5.0.2 Latévi Max LAWSON DAKU
• 2013/06/27 [Pw_forum] HgTe Kucukbenli Emine
• 2013/06/27 [Pw_forum] Phonon calculations with QE > 5.0.2 Latévi Max LAWSON DAKU
• 2013/06/26 [Pw_forum] Periodicity Axel Kohlmeyer
• 2013/06/26 [Pw_forum] Periodicity Yantao Wu
• 2013/06/26 [Pw_forum] Periodicity Axel Kohlmeyer
• 2013/06/26 [Pw_forum] Magnetic Field xirainbow
• 2013/06/26 [Pw_forum] Periodicity Yantao Wu
• 2013/06/26 [Pw_forum] Magnetic Field Farzad Shirazian
• 2013/06/26 [Pw_forum] Intermediate restart Paolo Giannozzi
• 2013/06/26 [Pw_forum] scf exit without error messag Hadi Arefi
• 2013/06/26 [Pw_forum] pw.x: start MD with defined velocity Steve Schmerler
• 2013/06/26 [Pw_forum] scf exit without error messag Giuseppe Mattioli
• 2013/06/26 [Pw_forum] pw.x: start MD with defined velocity Steve Schmerler
• 2013/06/26 [Pw_forum] scf exit without error messag Sakhrawi Taoufek
• 2013/06/26 [Pw_forum] HgTe Pascal BOULET
• 2013/06/26 [Pw_forum] HgTe Lorenzo Paulatto
• 2013/06/26 [Pw_forum] Intermediate restart Giuseppe Mattioli
• 2013/06/26 [Pw_forum] HgTe sara barati
• 2013/06/26 [Pw_forum] Intermediate restart simone marocchi
• 2013/06/26 [Pw_forum] increasing the parameter npk Lorenzo Paulatto
• 2013/06/26 [Pw_forum] increasing the parameter npk eitan eidelstein
• 2013/06/25 [Pw_forum] Intermediate restart Duy Le
• 2013/06/25 [Pw_forum] Intermediate restart Simone Marocchi
• 2013/06/25 [Pw_forum] a question about the adsorption of 3d atoms on a surface with spin -polarized calculations sufyan
• 2013/06/25 [Pw_forum] Floating point exception Lorenzo Paulatto
• 2013/06/24 [Pw_forum] Floating point exception Mansoureh Pashangpour
• 2013/06/24 [Pw_forum] scf calculation stops after 'Starting wfc are 476 atomic wfcs' without other informaiton Yong Xue
• 2013/06/24 [Pw_forum] .. Yongsheng Zhang
• 2013/06/24 [Pw_forum] a question about the adsorption of 3d atoms on a surface with spin -polarized calculations Lorenzo Paulatto
• 2013/06/24 [Pw_forum] a question about the adsorption of 3d atoms on a surface with spin -polarized calculations sufyan
• 2013/06/23 [Pw_forum] Reg: starting_magnetization Axel Kohlmeyer
• 2013/06/23 [Pw_forum] Reg: starting_magnetization Peram sreenivasa reddy
• 2013/06/23 [Pw_forum] disentanglement in Wannier90 Nicola Marzari
• 2013/06/23 [Pw_forum] disentanglement in Wannier90 Hanghui Chen
• 2013/06/23 [Pw_forum] conversion .xml farouk boutaiba
• 2013/06/23 [Pw_forum] .. Yongsheng Zhang
• 2013/06/23 [Pw_forum] Free energy and entropy Axel Kohlmeyer
• 2013/06/23 [Pw_forum] Free energy and entropy Alex Sham
• 2013/06/22 [Pw_forum] Mn doped ZnS in high spin configuration Duy Le

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