pw_forum

Messages by Date

2013/01/11 [Pw_forum] kpoints.x querry Nandan Tandon
2013/01/11 [Pw_forum] setting grid size and memory management for pw scf Mike Marchywka
2013/01/11 [Pw_forum] Maybe a mistake in the document for the cp.x with wannier function Paolo Giannozzi
2013/01/11 [Pw_forum] Error while trying to calculate phonons on a grid Gabriele Sclauzero
2013/01/10 [Pw_forum] Maybe a mistake in the document for the cp.x with wannier function Yi Yao
2013/01/10 [Pw_forum] Ni pseudopotential Peng Chen
2013/01/10 [Pw_forum] Ni pseudopotential Arles V. Gil Rebaza
2013/01/10 [Pw_forum] Ni pseudopotential Peng Chen
2013/01/10 [Pw_forum] plan_avg.x input file pari shok
2013/01/10 [Pw_forum] 回复： Relax Calculation for ZnO Paolo Giannozzi
2013/01/10 [Pw_forum] Error while trying to calculate phonons on a grid Paolo Giannozzi
2013/01/10 [Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90 Paolo Giannozzi
2013/01/10 [Pw_forum] Error while trying to calculate phonons on a grid Giovanni Baez
2013/01/10 [Pw_forum] (no subject) HuDa
2013/01/10 [Pw_forum] Bls: Bls: Relax Calculation for ZnO Angga Fauzi
2013/01/10 [Pw_forum] Bls: Relax Calculation for ZnO Giuseppe Mattioli
2013/01/10 [Pw_forum] Bls: Relax Calculation for ZnO Angga Fauzi
2013/01/10 [Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90 eitan eidelstein
2013/01/10 [Pw_forum] 回复： Relax Calculation for ZnO 纳米
2013/01/10 [Pw_forum] Pw_forum Digest, Vol 67, Issue 6 Kopinjol Baishya
2013/01/10 [Pw_forum] Iron & Starting Magnetization Paolo Giannozzi
2013/01/10 [Pw_forum] Relax Calculation for ZnO [email protected]
2013/01/10 [Pw_forum] Relax Calculation in ZnO Angga Fauzi
2013/01/10 [Pw_forum] Relax Calculation for ZnO Angga Fauzi
2013/01/09 [Pw_forum] error whilst doing phonon calculations: Elias Albert
2013/01/09 [Pw_forum] CECAM Yambo School April 2013 on Electronic and Optical Excitations - Announcement Conor Hogan
2013/01/09 [Pw_forum] Iron & Starting Magnetization Ben Palmer
2013/01/08 [Pw_forum] (no subject) fedai inanir
2013/01/08 [Pw_forum] troubleshooting cdiaghg-have checked faq KACHMAR Ali
2013/01/08 [Pw_forum] troubleshooting cdiaghg-have checked faq Sonu Kumar
2013/01/08 [Pw_forum] troubleshooting cdiaghg-have checked faq Paolo Giannozzi
2013/01/08 [Pw_forum] troubleshooting cdiaghg-have checked faq mohnish pandey
2013/01/08 [Pw_forum] Error in phonon calculations Deepashri Saraf
2013/01/08 [Pw_forum] Differences between single-projector & multiple-projector and their physics Yue-Wen Fang
2013/01/07 [Pw_forum] troubleshooting cdiaghg-have checked faq vijaya subramanian
2013/01/07 [Pw_forum] Help: TDDFPT plots Simon Binnie
2013/01/07 [Pw_forum] mode symmetry 昶棘汐
2013/01/07 [Pw_forum] mode symmetry Stefano Baroni
2013/01/07 [Pw_forum] qe does not read input file Paolo Giannozzi
2013/01/07 [Pw_forum] qe does not read input file Surender
2013/01/07 [Pw_forum] mode symmetry espresso quantum
2013/01/07 [Pw_forum] Mode symmetry at Gamma espresso quantum
2013/01/07 [Pw_forum] (no subject) Izaak Williamson
2013/01/07 [Pw_forum] mixed of Pseudopotentials Paolo Giannozzi
2013/01/07 [Pw_forum] cpmd cannot reach the electronic ground state Paolo Giannozzi
2013/01/06 [Pw_forum] cpmd cannot reach the electronic ground state DONG Juncai
2013/01/06 [Pw_forum] mixed of Pseudopotentials Shamsu Abubakar
2013/01/06 [Pw_forum] cpmd cannot reach the electronic ground state Paolo Giannozzi
2013/01/06 [Pw_forum] Iron & Starting Magnetization Paolo Giannozzi
2013/01/06 [Pw_forum] cpmd cannot reach the electronic ground state DONG Juncai
2013/01/05 [Pw_forum] regression in phonon with SOC between v5.0.1 and v5.0.2 Dal Corso Andrea
2013/01/05 [Pw_forum] regression in phonon with SOC between v5.0.1 and v5.0.2 Alaska Subedi
2013/01/05 [Pw_forum] Iron & Starting Magnetization Ben Palmer
2013/01/05 [Pw_forum] Phonon eigenvector normalization Paolo Giannozzi
2013/01/04 [Pw_forum] Help: TDDFPT plots Ravindra Shinde रविंद्र शिंदे
2013/01/04 [Pw_forum] Phonon eigenvector normalization Jiseok Kim
2013/01/04 [Pw_forum] plot_num in pp.x Ruibin Liu
2013/01/04 [Pw_forum] Can QE outputs velocities in MD implemented by scf ? Paolo Giannozzi
2013/01/04 [Pw_forum] svn espresso - segmentation fault in file set_irr.f90 Bramha Pandey
2013/01/04 [Pw_forum] svn espresso - segmentation fault in file set_irr.f90 Paolo Giannozzi
2013/01/04 [Pw_forum] local and global minimums in relaxation Paolo Giannozzi
2013/01/04 [Pw_forum] execution problem when compiling with openmp and ifort Paolo Giannozzi
2013/01/04 [Pw_forum] Error in 'nscf' calculation " from cdiaghg : diagonalization (ZHEGV*) failed" Paolo Giannozzi
2013/01/04 [Pw_forum] Problems computing Cholesky Paolo Giannozzi
2013/01/04 [Pw_forum] Titanium Pseudopotential Paolo Giannozzi
2013/01/04 [Pw_forum] Problems computing Cholesky Roberto G. A. Veiga
2013/01/03 [Pw_forum] compiling with ifort Paolo Giannozzi
2013/01/03 [Pw_forum] execution problem when compiling with openmp and ifort Paolo Giannozzi
2013/01/03 [Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file. Paolo Giannozzi
2013/01/03 [Pw_forum] failure in trying to compute U Paolo Giannozzi
2013/01/02 [Pw_forum] Can QE outputs velocities in MD implemented by scf ? Tian Lan
2013/01/02 [Pw_forum] compiling with ifort Axel Kohlmeyer
2013/01/02 [Pw_forum] compiling with ifort eitan eidelstein
2013/01/02 [Pw_forum] core-relax in hyperfine calculation (GIPAW) Davide Ceresoli
2013/01/02 [Pw_forum] failure in trying to compute U Jia Chen
2013/01/02 [Pw_forum] failure in trying to compute U "José C. Conesa"
2013/01/02 [Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file. Mike Marchywka
2013/01/02 [Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file. Mike Marchywka
2013/01/02 [Pw_forum] Pseudo directory error Axel Kohlmeyer
2013/01/02 [Pw_forum] execution problem when compiling with openmp and ifort eitan eidelstein
2013/01/02 [Pw_forum] core-relax in hyperfine calculation (GIPAW) Jarkko Vähäkangas
2013/01/01 [Pw_forum] Titanium Pseudopotential Iwan Darmadi
2013/01/01 [Pw_forum] Error in 'nscf' calculation " from cdiaghg : diagonalization (ZHEGV*) failed" Kopinjol Baishya
2012/12/31 [Pw_forum] svn espresso - segmentation fault in file set_irr.f90 Bramha Pandey
2012/12/30 [Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite Bramha Pandey
2012/12/30 [Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite vijaya subramanian
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error Ari P Seitsonen
2012/12/30 [Pw_forum] Pseudo directory error Axel Kohlmeyer
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error Ari P Seitsonen
2012/12/30 [Pw_forum] Pseudo directory error deepika goyal
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error deepika goyal
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error Ari P Seitsonen
2012/12/30 [Pw_forum] Pseudo directory error deepika goyal
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error deepika goyal
2012/12/30 [Pw_forum] Pseudo directory error Bramha Pandey
2012/12/30 [Pw_forum] Pseudo directory error Ari P Seitsonen
2012/12/30 [Pw_forum] Pseudo directory error deepika goyal
2012/12/30 [Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals? Ari P Seitsonen
2012/12/30 [Pw_forum] Help with Building and Installing Quantum Espresso Jean Martel
2012/12/30 [Pw_forum] Post-doc position in Materials Research Centre at Indian Institute of Science, Bangalore, India Aaditya Manjanath
2012/12/30 [Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals? Yavar Taghipour Azar
2012/12/29 [Pw_forum] Help with Building and Installing Quantum Espresso Filippo Spiga
2012/12/29 [Pw_forum] Help with Building and Installing Quantum Espresso Jean Martel
2012/12/29 [Pw_forum] Help with Building and Installing Quantum Espresso Mike Atambo
2012/12/28 [Pw_forum] Not Convergent DFT+U Iwan Darmadi
2012/12/28 [Pw_forum] problem calculating el-ph in Hexagonal crystal system Xiaolong Zhang
2012/12/28 [Pw_forum] problem calculating el-ph in Hexagonal crystal system Xiaolong Zhang
2012/12/28 [Pw_forum] Help with Building and Installing Quantum Espresso Jean Martel
2012/12/28 [Pw_forum] problem calculating el-ph in Hexagonal crystal system Xiaolong Zhang
2012/12/28 [Pw_forum] forrtl: severe (174): SIGSEGV, segmentation fault occurred in stress calculation in DFT+U calcualtion Bramha Pandey
2012/12/28 [Pw_forum] error in reading namelist Paolo Giannozzi
2012/12/28 [Pw_forum] g-tensor zhang123
2012/12/27 [Pw_forum] local and global minimums in relaxation Mike Marchywka
2012/12/27 [Pw_forum] error in reading namelist Bramha Pandey
2012/12/27 [Pw_forum] error in reading namelist Mahdi Faghih nasiri
2012/12/27 [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in eitan eidelstein
2012/12/27 [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in eitan eidelstein
2012/12/26 [Pw_forum] job announcement & season's greetings Stefano Baroni
2012/12/26 [Pw_forum] g-tensor Davide Ceresoli
2012/12/24 [Pw_forum] local and global minimums in relaxation Sergey
2012/12/24 [Pw_forum] g-tensor zhang123
2012/12/23 [Pw_forum] Wishing a Merry Christmas Bramha Pandey
2012/12/23 [Pw_forum] Calculating Tc from phonons [email protected]
2012/12/23 [Pw_forum] restart phonon calculation in 5.0.2 Xiaolong Zhang
2012/12/21 [Pw_forum] negative phonon frequencies again :: graphene Paolo Giannozzi
2012/12/21 [Pw_forum] local and global minimums in relaxation Paolo Giannozzi
2012/12/21 [Pw_forum] local and global minimums in relaxation Sergey
2012/12/21 [Pw_forum] Different number of symmetry operations Stefano de Gironcoli
2012/12/21 [Pw_forum] Different number of symmetry operations Feng Tian
2012/12/21 [Pw_forum] Error to run PWCOND examples Paolo Giannozzi
2012/12/21 [Pw_forum] Error to run PWCOND examples Bramha Pandey
2012/12/21 [Pw_forum] restart phonon calculation in 5.0.2 Xiaolong Zhang
2012/12/21 [Pw_forum] restart phonon calculation in 5.0.2 Paolo Giannozzi
2012/12/20 [Pw_forum] Extracting charge density difference Yusuf Zuntu
2012/12/20 [Pw_forum] restart phonon calculation in 5.0.2 Xiaolong Zhang
2012/12/20 [Pw_forum] Default PWscf Temperature/Pressure Ben Palmer
2012/12/20 [Pw_forum] restart problem using Grid parallelization Xiaolong Zhang
2012/12/20 [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code Tian Lan
2012/12/20 [Pw_forum] .dat file of plotnum=7 mashiat alaaii
2012/12/20 [Pw_forum] Default PWscf Temperature/Pressure Paolo Giannozzi
2012/12/20 [Pw_forum] restart problem using Grid parallelization Paolo Giannozzi
2012/12/20 [Pw_forum] More bug fixes for QE v.5.0.2 Paolo Giannozzi
2012/12/20 [Pw_forum] negative phonon frequencies again :: graphene Martin Gmitra
2012/12/20 [Pw_forum] negative phonon frequencies again :: graphene Lorenzo Paulatto
2012/12/20 [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code Lorenzo Paulatto
2012/12/19 [Pw_forum] restart problem using Grid parallelization Xiaolong Zhang
2012/12/19 [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code Tian Lan
2012/12/19 [Pw_forum] Remove/Adding d-shell electron : U calculation Burak Himmetoglu
2012/12/19 [Pw_forum] Remove/Adding d-shell electron : U calculation Iwan Darmadi
2012/12/19 [Pw_forum] Default PWscf Temperature/Pressure Ben Palmer
2012/12/19 [Pw_forum] the problem of running with different Paolo Giannozzi
2012/12/19 [Pw_forum] phonon calculation Paolo Giannozzi
2012/12/19 [Pw_forum] Can QE5.01 do RAMAN with GGA? Paolo Giannozzi
2012/12/19 [Pw_forum] Pw_forum Digest, Vol 66, Issue 43 Bramha Pandey
2012/12/19 [Pw_forum] Pw_forum Digest, Vol 66, Issue 43 pari shok
2012/12/19 [Pw_forum] question about PDOS somayeh fotohi
2012/12/19 [Pw_forum] Can QE5.01 do RAMAN with GGA? Eduardo Ariel Menendez Proupin
2012/12/19 [Pw_forum] phonon calculation farouk boutaiba
2012/12/19 [Pw_forum] phonon calculation Bramha Pandey
2012/12/19 [Pw_forum] phonon calculation farouk boutaiba
2012/12/19 [Pw_forum] bandgap calculation of insulators with direct gap Paolo Giannozzi
2012/12/19 [Pw_forum] bandgap calculation of insulators with direct gap Giuseppe Mattioli
2012/12/19 [Pw_forum] bandgap calculation of insulators with direct gap Paolo Giannozzi
2012/12/19 [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code Lorenzo Paulatto
2012/12/19 [Pw_forum] the problem of running with different Layla Martin-Samos
2012/12/19 [Pw_forum] image parallelization and electric fields Layla Martin-Samos
2012/12/18 [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code Tian Lan
2012/12/18 [Pw_forum] bandgap calculation of insulators with direct gap Amin Torabi
2012/12/18 [Pw_forum] (no subject) Amin Torabi
2012/12/18 [Pw_forum] the problem of running with different pari shok
2012/12/18 [Pw_forum] image parallelization and electric fields David Strubbe
2012/12/18 [Pw_forum] negative phonon frequencies again :: graphene Martin Gmitra
2012/12/18 [Pw_forum] negative phonon frequencies again :: graphene Martin Gmitra
2012/12/18 [Pw_forum] Error to run PWCOND examples Bramha Pandey
2012/12/18 [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort Paolo Giannozzi
2012/12/18 [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran Giuseppe Mattioli
2012/12/18 [Pw_forum] Doubt: number of Kohn-Sham states and magnetization Antonio
2012/12/18 [Pw_forum] Doubt: number of Kohn-Sham states and magnetization Giuseppe Mattioli
2012/12/18 [Pw_forum] Doubt: number of Kohn-Sham states and magnetization Paolo Giannozzi
2012/12/18 [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran Paolo Giannozzi
2012/12/18 [Pw_forum] Doubt: number of Kohn-Sham states and magnetization Antonio
2012/12/18 [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort eitan eidelstein
2012/12/18 [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran eitan eidelstein
2012/12/18 [Pw_forum] Electron-phonon: lambda zero [email protected]
2012/12/17 [Pw_forum] Can QE5.01 do RAMAN with GGA? Paolo Giannozzi
2012/12/14 [Pw_forum] r mesh for u(i,k,G) Stefano Baroni
2012/12/14 [Pw_forum] r mesh for u(i,k,G) [email protected]
2012/12/14 [Pw_forum] Can QE5.01 do RAMAN with GGA? Feng Tian
2012/12/14 [Pw_forum] missing dependencies Paolo Giannozzi
2012/12/14 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Paolo Giannozzi
2012/12/14 [Pw_forum] missing dependencies David Strubbe
2012/12/14 [Pw_forum] EFG calculation with GIPAW psudopotentials Davide Ceresoli
2012/12/13 [Pw_forum] EFG calculation with GIPAW psudopotentials Arles V. Gil Rebaza
2012/12/13 [Pw_forum] EFG calculation with GIPAW psudopotentials Davide Ceresoli
2012/12/13 [Pw_forum] all-electron relaxation Abdeslam HOUARI