pw_forum

Messages by Date

2012/07/18 [Pw_forum] A question about the Ph.x code. Claudio Perottoni
2012/07/18 [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". GAO Zhe
2012/07/18 [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". bamidele ibrahim
2012/07/18 [Pw_forum] Clarification on how to compute elastic constants bamidele ibrahim
2012/07/18 [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". GAO Zhe
2012/07/18 [Pw_forum] nscf calculation Sohail Ahmad
2012/07/17 [Pw_forum] Band structure of Diamagnetic system Abolore Musari
2012/07/17 [Pw_forum] Re : Regarding QHA zafar rasheed
2012/07/17 [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". bamidele ibrahim
2012/07/17 [Pw_forum] A question about the Ph.x code. Filipe Camargo Dalmatti Alves Lima
2012/07/17 [Pw_forum] Regarding QHA Kondaiah Samudrala
2012/07/17 [Pw_forum] supercell contraction and cell_factor parameter Paolo Giannozzi
2012/07/17 [Pw_forum] Why does Ewald sum calculation need so much RAM Paolo Giannozzi
2012/07/17 [Pw_forum] Why does Ewald sum calculation need so much RAM Thomas Gruber
2012/07/17 [Pw_forum] Pw_forum Digest, Vol 61, Issue 49 Kondaiah Samudrala
2012/07/17 [Pw_forum] Change Fermi energy in e-ph calculation Paolo Giannozzi
2012/07/17 [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Andrea Dal Corso
2012/07/17 [Pw_forum] Why does Ewald sum calculation need so much RAM Paolo Giannozzi
2012/07/17 [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Koushik Pal
2012/07/17 [Pw_forum] Why does Ewald sum calculation need so much RAM Thomas Gruber
2012/07/17 [Pw_forum] Reciprocity of Supercells & BZ Sampling yavar pour azar
2012/07/17 [Pw_forum] Regarding QHA calculations Paolo Giannozzi
2012/07/17 [Pw_forum] Regarding QHA calculations Kondaiah Samudrala
2012/07/17 [Pw_forum] Problem on compiling espresso-4.3.2 Giovanni Cantele
2012/07/17 [Pw_forum] Reciprocity of Supercells & BZ Sampling Giovanni Cantele
2012/07/17 [Pw_forum] Problem on compiling espresso-4.3.2 Giovanni Cantele
2012/07/17 [Pw_forum] Problem on compiling espresso-4.3.2 Mahdi Faghih nasiri
2012/07/16 [Pw_forum] q not allowed when running q2r.x Paolo Giannozzi
2012/07/16 [Pw_forum] Change Fermi energy in e-ph calculation Nicki Frank Hinsche
2012/07/16 [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation Andrea Dal Corso
2012/07/16 [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation Koushik Pal
2012/07/16 [Pw_forum] ntg with Hybrid Calculations Jack Deslippe
2012/07/16 [Pw_forum] help GAO Zhe
2012/07/16 [Pw_forum] help Giovanni Cantele
2012/07/16 [Pw_forum] help Nyaruanda Calvince
2012/07/15 [Pw_forum] q not allowed when running q2r.x Peng Tao
2012/07/15 [Pw_forum] q not allowed when running q2r.x Peng Tao
2012/07/15 [Pw_forum] ecutwfc Sohail Ahmad
2012/07/15 [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
2012/07/15 [Pw_forum] q not allowed in example07 Peng Tao
2012/07/15 [Pw_forum] q not allowed when running q2r.x Peng Tao
2012/07/15 [Pw_forum] q not allowed when running q2r.x "Alejandro Rébola"
2012/07/14 [Pw_forum] question about compiling espresso-4.3.2-GPU Filippo Spiga
2012/07/14 [Pw_forum] A question about efield ????????
2012/07/14 [Pw_forum] question about compiling espresso-4.3.2-GPU Filippo Spiga
2012/07/14 [Pw_forum] relax or vc-relax for supercell? yavar pour azar
2012/07/14 [Pw_forum] i can not see my email yavar pour azar
2012/07/14 [Pw_forum] i can not see my email Axel Kohlmeyer
2012/07/14 [Pw_forum] i can not see my email yavar pour azar
2012/07/13 [Pw_forum] Reciprocity of Supercells & BZ Sampling yavar pour azar
2012/07/13 [Pw_forum] reg: Tc calculation Swetarekha Ram
2012/07/13 [Pw_forum] Fwd: "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information? yavar pour azar
2012/07/13 [Pw_forum] question about compiling espresso-4.3.2-GPU Chengyang Li
2012/07/13 [Pw_forum] Bad data for namelist object mixing_mode Ramesh Kumar
2012/07/13 [Pw_forum] Bad data for namelist object mixing_mode GAO Zhe
2012/07/13 [Pw_forum] Bad data for namelist object mixing_mode Ramesh Kumar
2012/07/13 [Pw_forum] GIPAW for metallic system Davide Ceresoli
2012/07/12 [Pw_forum] Creating a vacuum and isolating cell of 2layers Thaneshwor Kaloni
2012/07/12 [Pw_forum] q not allowed in example07 GAO Zhe
2012/07/12 [Pw_forum] Creating a vacuum and isolating cell of 2layers Sohail Ahmad
2012/07/12 [Pw_forum] supercell contraction and cell_factor parameter Zhihui Zhu
2012/07/12 [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
2012/07/12 [Pw_forum] q not allowed in example07 Peng Tao
2012/07/12 [Pw_forum] phonon calculation at gamma point Anjali Singh
2012/07/12 [Pw_forum] where I can find BLYP USPP for Ru? Giuseppe Mattioli
2012/07/12 [Pw_forum] where I can find BLYP USPP for Ru? yavar pour azar
2012/07/12 [Pw_forum] "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information? yavar pour azar
2012/07/12 [Pw_forum] where I can find BLYP USPP for Ru? Paolo Giannozzi
2012/07/12 [Pw_forum] where I can find BLYP USPP for Ru? GAO Zhe
2012/07/12 [Pw_forum] where I can find BLYP USPP for Ru? yavar pour azar
2012/07/12 [Pw_forum] GIPAW for metallic system Davide Ceresoli
2012/07/11 [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
2012/07/11 [Pw_forum] Plotting Band Structure by using Xmgrace shu xu
2012/07/11 [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
2012/07/11 [Pw_forum] q not allowed in example07 Peng Tao
2012/07/11 [Pw_forum] Plotting Band Structure by using Xmgrace bramha pandey
2012/07/11 [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
2012/07/11 [Pw_forum] q not allowed in example07 Paolo Giannozzi
2012/07/11 [Pw_forum] little 'bug' in bands_FS Paolo Giannozzi
2012/07/11 [Pw_forum] q not allowed in example07 Peng Tao
2012/07/11 [Pw_forum] (no subject) bf azi
2012/07/11 [Pw_forum] Calculation of Gibbs free energies GAO Zhe
2012/07/11 [Pw_forum] little 'bug' in bands_FS Cristian Degli Esposti Boschi
2012/07/11 [Pw_forum] phonon eigenvector units Paolo Giannozzi
2012/07/11 [Pw_forum] q not allowed in example07 Paolo Giannozzi
2012/07/11 [Pw_forum] negative dr2 Sonu Kumar
2012/07/10 [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
2012/07/10 [Pw_forum] q not allowed in example07 Peng Tao
2012/07/10 [Pw_forum] GRID example of e-ph Paolo Giannozzi
2012/07/10 [Pw_forum] "espresso-4.3.2-GPU.tar.gz" and "espresso-5.0-GPU.tar.gz" available on QE-FORGE Filippo Spiga
2012/07/10 [Pw_forum] How to calculate NMR for negative charged system? [email protected]
2012/07/10 [Pw_forum] GRID example of e-ph Peng Tao
2012/07/10 [Pw_forum] pwcond transmission tran_file Alex Smogunov
2012/07/10 [Pw_forum] U calculation in LDA+U Peng Chen
2012/07/10 [Pw_forum] phonon eigenvector units David Miller
2012/07/10 [Pw_forum] U calculation in LDA+U Peng Chen
2012/07/10 [Pw_forum] pwcond transmission tran_file Jonathan Trinastic
2012/07/10 [Pw_forum] Calculation of Gibbs free energies Lorenzo Paulatto
2012/07/10 [Pw_forum] U calculation in LDA+U Matteo Cococcioni
2012/07/10 [Pw_forum] U calculation in LDA+U Burak Himmetoglu
2012/07/10 [Pw_forum] Calculation of Gibbs free energies Paolo Giannozzi
2012/07/10 [Pw_forum] U calculation in LDA+U Peng Chen
2012/07/10 [Pw_forum] Calculation of Gibbs free energies Torstein Fjermestad
2012/07/10 [Pw_forum] U calculation in LDA+U Peng Chen
2012/07/10 [Pw_forum] segfault in projwfc calculation Paolo Giannozzi
2012/07/10 [Pw_forum] U calculation in LDA+U Burak Himmetoglu
2012/07/10 [Pw_forum] Old problem with cppp.x Negar Ashari Astani
2012/07/10 [Pw_forum] segfault in projwfc calculation Giuseppe Mattioli
2012/07/10 [Pw_forum] Error #19 MoS2 ecutoff convergence test GAO Zhe
2012/07/10 [Pw_forum] Memory (RAM) Paolo Giannozzi
2012/07/10 [Pw_forum] Error #19 MoS2 ecutoff convergence test Lorenzo Paulatto
2012/07/10 [Pw_forum] Error #19 MoS2 ecutoff convergence test Sohail Ahmad
2012/07/10 [Pw_forum] GRID example of e-ph Andrea Dal Corso
2012/07/10 [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
2012/07/09 [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
2012/07/09 [Pw_forum] U calculation in LDA+U Stefano de Gironcoli
2012/07/09 [Pw_forum] regarding phonon dispersion Lorenzo Paulatto
2012/07/09 [Pw_forum] confused by electron-phonon coupling recover 陈建勇
2012/07/09 [Pw_forum] U calculation in LDA+U Peng Chen
2012/07/09 [Pw_forum] regarding phonon dispersion Kondaiah Samudrala
2012/07/09 [Pw_forum] GRID example of e-ph Peng Tao
2012/07/09 [Pw_forum] Memory (RAM) Vo, Trinh (388C)
2012/07/09 [Pw_forum] Old problem with cppp.x Gabriele Sclauzero
2012/07/09 [Pw_forum] Old problem with cppp.x Negar Ashari Astani
2012/07/09 [Pw_forum] Error #17 in Convergence test of MoS2 Paolo Giannozzi
2012/07/09 [Pw_forum] Error #17 in Convergence test of MoS2 Sohail Ahmad
2012/07/09 [Pw_forum] Old problem with cppp.x Gabriele Sclauzero
2012/07/09 [Pw_forum] Old problem with cppp.x Negar Ashari Astani
2012/07/09 [Pw_forum] (no subject) Axel Kohlmeyer
2012/07/09 [Pw_forum] (no subject) Anjali Singh
2012/07/09 [Pw_forum] K-points ramzi alaya
2012/07/09 [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Eduardo Ariel Menendez Proupin
2012/07/08 [Pw_forum] q not allowed when using q2r.x to calculate a2F Peng Tao
2012/07/08 [Pw_forum] Problems in Bands of Graphene Nanoribbon Stefano de Gironcoli
2012/07/07 [Pw_forum] HOMO, LUMO isosurfaces. NCPP or USPP, which is more accurate? Yavar Taghipour Azar
2012/07/07 [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
2012/07/06 [Pw_forum] core level shifting calculation Stefano Baroni
2012/07/06 [Pw_forum] Charge Density of the Graphene-Lithium System Thaneshwor Kaloni
2012/07/06 [Pw_forum] Charge Density of the Graphene-Lithium System Gulcin Kucukdalyan
2012/07/06 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Paolo Giannozzi
2012/07/06 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
2012/07/06 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Guido Fratesi
2012/07/06 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
2012/07/06 [Pw_forum] I can't find the error (SOLVED!) Davide Tiana
2012/07/06 [Pw_forum] core level shifting calculation Paolo Giannozzi
2012/07/06 [Pw_forum] core level shifting calculation manoj narayanan
2012/07/06 [Pw_forum] bamd structure of FeS2 Paolo Giannozzi
2012/07/05 [Pw_forum] bamd structure of FeS2 Abolore Musari
2012/07/05 [Pw_forum] Convergence issues with Bulk Magnesium MMS
2012/07/05 [Pw_forum] Convergence issues with Bulk Magnesium Lorenzo Paulatto
2012/07/05 [Pw_forum] I can't find the error Eric J. Walter
2012/07/05 [Pw_forum] Convergence issues with Bulk Magnesium MMS
2012/07/05 [Pw_forum] I can't find the error Duy Le
2012/07/05 [Pw_forum] I can't find the error Stefano de Gironcoli
2012/07/05 [Pw_forum] I can't find the error Davide Tiana
2012/07/05 [Pw_forum] Convergence issues with Bulk Magnesium Giovani Faccin
2012/07/05 [Pw_forum] I can't find the error :-( Paolo Giannozzi
2012/07/05 [Pw_forum] I can't find the error :-( Paolo Giannozzi
2012/07/05 [Pw_forum] I can't find the error :-( Duy Le
2012/07/05 [Pw_forum] I can't find the error :-( Janet Wong
2012/07/05 [Pw_forum] Convergence issues with Bulk Magnesium MMS
2012/07/05 [Pw_forum] I can't find the error :-( Davide Tiana
2012/07/05 [Pw_forum] core level shifting calculation Paolo Giannozzi
2012/07/05 [Pw_forum] unit cell of Beta-GaSe crystal Ayça Kırağası
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC Gabriele Sclauzero
2012/07/05 [Pw_forum] core level shifting calculation manoj narayanan
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC Andrea Dal Corso
2012/07/05 [Pw_forum] unit cell of Beta-GaSe crystal Paolo Giannozzi
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC Thaneshwor Kaloni
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC Andrea Dal Corso
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC Thaneshwor Kaloni
2012/07/05 [Pw_forum] RE : error with spin polarized calculation with SOC BARRETEAU Cyrille
2012/07/05 [Pw_forum] unit cell of Beta-GaSe crystal Ayça Kırağası
2012/07/05 [Pw_forum] error with spin polarized calculation with SOC Thaneshwor Kaloni
2012/07/05 [Pw_forum] Pseudo potential MoS2 Paolo Giannozzi
2012/07/05 [Pw_forum] Pw_forum Digest, Vol 61, Issue 11 Thaneshwor Kaloni
2012/07/05 [Pw_forum] Pseudo potential MoS2 Sohail Ahmad
2012/07/05 [Pw_forum] Pseudopotential for MoS2 Axel Kohlmeyer
2012/07/04 [Pw_forum] Pseudopotential for MoS2 Sohail Ahmad
2012/07/03 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Yavar Taghipour Azar
2012/07/03 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Guido Fratesi
2012/07/02 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Yavar Taghipour Azar
2012/07/02 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Sonu Kumar
2012/07/02 [Pw_forum] Ploting graphene energy band Yusuf Zuntu
2012/07/02 [Pw_forum] phonon Stefano Baroni
2012/07/02 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Guido Fratesi
2012/07/02 [Pw_forum] Problem in Bands of Graphene Nanoribbon Martin Gmitra
2012/07/02 [Pw_forum] phonon Swetarekha Ram
2012/07/02 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Sonu Kumar
2012/07/02 [Pw_forum] Problem in Bands of Graphene Nanoribbon Giovanni Cantele
2012/07/02 [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject) Yavar Taghipour Azar
2012/07/02 [Pw_forum] (no subject) Guido Fratesi
2012/07/02 [Pw_forum] (no subject) Yavar Taghipour Azar
2012/07/02 [Pw_forum] Problem in Bands of Graphene Nanoribbon Nicola Marzari
2012/07/02 [Pw_forum] augmentation charge importance in calculation of local dos Yavar Taghipour Azar
2012/07/02 [Pw_forum] Problem in Bands of Graphene Nanoribbon ????????
2012/07/01 [Pw_forum] Charge density as a percentage Stefano de Gironcoli
2012/07/01 [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
2012/07/01 [Pw_forum] Charge density as a percentage Gulcin Tetiker
2012/07/01 [Pw_forum] Total energy too low Stefano de Gironcoli