July 2012 Archives by author

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Starting: Sun Jul 1 09:43:02 CEST 2012
Ending: Tue Jul 31 21:37:19 CEST 2012
Messages: 372

• No subject  
• [Pw_forum] Pseudopotential for MoS2   Sohail Ahmad
• [Pw_forum] Pseudo potential MoS2   Sohail Ahmad
• [Pw_forum] Error #17 in Convergence test of MoS2   Sohail Ahmad
• [Pw_forum] Error #19 MoS2 ecutoff convergence test   Sohail Ahmad
• [Pw_forum] Creating a vacuum and isolating cell of 2layers   Sohail Ahmad
• [Pw_forum] ecutwfc   Sohail Ahmad
• [Pw_forum] nscf calculation   Sohail Ahmad
• [Pw_forum] self consistent calculation   Sohail Ahmad
• [Pw_forum] Band Structure and nscf calculation   Sohail Ahmad
• [Pw_forum] k points weights   Sohail Ahmad
• [Pw_forum] pw91 pseudopotential for Se   Sohail Ahmad
• [Pw_forum] MoS2 -monolayer input -   Sohail Ahmad
• [Pw_forum] convergence problem for charged simulation cell   Alexey Akimov
• [Pw_forum] Request   Amin Amin
• [Pw_forum] Problem with epsilon.x   Bohdan Andriyevskyy
• [Pw_forum] Old problem with cppp.x   Negar Ashari Astani
• [Pw_forum] Old problem with cppp.x   Negar Ashari Astani
• [Pw_forum] Old problem with cppp.x   Negar Ashari Astani
• [Pw_forum] augmentation charge importance in calculation of local dos   Yavar Taghipour Azar
• [Pw_forum] (no subject)   Yavar Taghipour Azar
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Yavar Taghipour Azar
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Yavar Taghipour Azar
• [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
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP?   Yavar Taghipour Azar
• [Pw_forum] HOMO, LUMO isosurfaces. NCPP or USPP, which is more accurate?   Yavar Taghipour Azar
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP?   Yavar Taghipour Azar
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP?   Yavar Taghipour Azar
• [Pw_forum] phonon   Stefano Baroni
• [Pw_forum] core level shifting calculation   Stefano Baroni
• [Pw_forum] TDDFT with turbo_lanczos.x   Simon Binnie
• [Pw_forum] Etot in cp.x vs pw.x   Simon Binnie
• [Pw_forum] little 'bug' in bands_FS   Cristian Degli Esposti Boschi
• [Pw_forum] help   Nyaruanda Calvince
• [Pw_forum] Problem in Bands of Graphene Nanoribbon   Giovanni Cantele
• [Pw_forum] help   Giovanni Cantele
• [Pw_forum] Problem on compiling espresso-4.3.2   Giovanni Cantele
• [Pw_forum] Reciprocity of Supercells & BZ Sampling   Giovanni Cantele
• [Pw_forum] Problem on compiling espresso-4.3.2   Giovanni Cantele
• [Pw_forum] GIPAW for metallic system   Davide Ceresoli
• [Pw_forum] GIPAW for metallic system   Davide Ceresoli
• [Pw_forum] Wrong representation in 5.0   Davide Ceresoli
• [Pw_forum] atomic projection in the band structure   Hanghui Chen
• [Pw_forum] U calculation in LDA+U   Peng Chen
• [Pw_forum] U calculation in LDA+U   Peng Chen
• [Pw_forum] U calculation in LDA+U   Peng Chen
• [Pw_forum] U calculation in LDA+U   Peng Chen
• [Pw_forum] U calculation in LDA+U   Peng Chen
• [Pw_forum] Relax in primitive cell or conventional cell   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] U calculation error   Peng Chen
• [Pw_forum] dipol correction in slab model calculations   Cheng-chau Chiu
• [Pw_forum] read out settings for ld1.x run from UPF-file   Cheng-chau Chiu
• [Pw_forum] U calculation in LDA+U   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] U calculation error   Matteo Cococcioni
• [Pw_forum] RE : error with spin polarized calculation with SOC   Andrea Dal Corso
• [Pw_forum] RE : error with spin polarized calculation with SOC   Andrea Dal Corso
• [Pw_forum] GRID example of e-ph   Andrea Dal Corso
• [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation   Andrea Dal Corso
• [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation   Andrea Dal Corso
• [Pw_forum] Wrong frequencies on STO phonons   Andrea Dal Corso
• [Pw_forum] Bug in PW/pw_readfile   Andrea Dal Corso
• [Pw_forum] RE : error with spin polarized calculation with SOC   BARRETEAU Cyrille
• [Pw_forum] ntg with Hybrid Calculations   Jack Deslippe
• [Pw_forum] Convergence issues with Bulk Magnesium   Giovani Faccin
• [Pw_forum] Calculation of Gibbs free energies   Torstein Fjermestad
• [Pw_forum] Calculation of Gibbs free energies   Torstein Fjermestad
• [Pw_forum] parallelization of phonon calculations   Torstein Fjermestad
• [Pw_forum] parallelization of phonon calculations   Torstein Fjermestad
• [Pw_forum] (no subject)   Guido Fratesi
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Guido Fratesi
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Guido Fratesi
• [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6   Guido Fratesi
• [Pw_forum] atomic projection in the band structure   Guido Fratesi
• [Pw_forum] dipol correction in slab model calculations   Guido Fratesi
• [Pw_forum] Total energy too low   David Furman
• [Pw_forum] GIPAW for metallic system   Prasenjit Ghosh
• [Pw_forum] GIPAW for metallic system   Prasenjit Ghosh
• [Pw_forum] GIPAW for metallic system   Prasenjit Ghosh
• [Pw_forum] Pseudo potential MoS2   Paolo Giannozzi
• [Pw_forum] unit cell of Beta-GaSe crystal   Paolo Giannozzi
• [Pw_forum] core level shifting calculation   Paolo Giannozzi
• [Pw_forum] I can't find the error :-(   Paolo Giannozzi
• [Pw_forum] I can't find the error :-(   Paolo Giannozzi
• [Pw_forum] bamd structure of FeS2   Paolo Giannozzi
• [Pw_forum] core level shifting calculation   Paolo Giannozzi
• [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6   Paolo Giannozzi
• [Pw_forum] Error #17 in Convergence test of MoS2   Paolo Giannozzi
• [Pw_forum] Memory (RAM)   Paolo Giannozzi
• [Pw_forum] segfault in projwfc calculation   Paolo Giannozzi
• [Pw_forum] Calculation of Gibbs free energies   Paolo Giannozzi
• [Pw_forum] GRID example of e-ph   Paolo Giannozzi
• [Pw_forum] q not allowed in example07   Paolo Giannozzi
• [Pw_forum] phonon eigenvector units   Paolo Giannozzi
• [Pw_forum] little 'bug' in bands_FS   Paolo Giannozzi
• [Pw_forum] q not allowed in example07   Paolo Giannozzi
• [Pw_forum] where I can find BLYP USPP for Ru?   Paolo Giannozzi
• [Pw_forum] q not allowed when running q2r.x   Paolo Giannozzi
• [Pw_forum] Regarding QHA calculations   Paolo Giannozzi
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Paolo Giannozzi
• [Pw_forum] Change Fermi energy in e-ph calculation   Paolo Giannozzi
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Paolo Giannozzi
• [Pw_forum] supercell contraction and cell_factor parameter   Paolo Giannozzi
• [Pw_forum] A question about the Ph.x code.   Paolo Giannozzi
• [Pw_forum] Band structure of Diamagnetic system   Paolo Giannozzi
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".   Paolo Giannozzi
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Paolo Giannozzi
• [Pw_forum] ntg with Hybrid Calculations   Paolo Giannozzi
• [Pw_forum] Input error?   Paolo Giannozzi
• [Pw_forum] Band structure of Diamagnetic system   Paolo Giannozzi
• [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation   Paolo Giannozzi
• [Pw_forum] relaxed structure output   Paolo Giannozzi
• [Pw_forum] Wrong frequencies on STO phonons   Paolo Giannozzi
• [Pw_forum] atomic projection in the band structure   Paolo Giannozzi
• [Pw_forum] Wrong frequencies on STO phonons   Paolo Giannozzi
• [Pw_forum] Etot in cp.x vs pw.x   Paolo Giannozzi
• [Pw_forum] Wrong frequencies on STO phonons   Paolo Giannozzi
• [Pw_forum] Problem with epsilon.x   Paolo Giannozzi
• [Pw_forum] Wrong frequencies on STO phonons   Paolo Giannozzi
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Paolo Giannozzi
• [Pw_forum] parallelization of phonon calculations   Paolo Giannozzi
• [Pw_forum] Problem on runing espresso-4.3.2   Paolo Giannozzi
• [Pw_forum] pseudopotential   Paolo Giannozzi
• [Pw_forum] parallelization of phonon calculations   Paolo Giannozzi
• [Pw_forum] read out settings for ld1.x run from UPF-file   Paolo Giannozzi
• [Pw_forum] vc-md_NOT-STOP   Paolo Giannozzi
• [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation   Stefano de Gironcoli
• [Pw_forum] Total energy too low   Stefano de Gironcoli
• [Pw_forum] Charge density as a percentage   Stefano de Gironcoli
• [Pw_forum] I can't find the error   Stefano de Gironcoli
• [Pw_forum] Problems in Bands of Graphene Nanoribbon   Stefano de Gironcoli
• [Pw_forum] U calculation in LDA+U   Stefano de Gironcoli
• [Pw_forum] Clarification on how to compute elastic constants   Stefano de Gironcoli
• [Pw_forum] Etot in cp.x vs pw.x   Stefano de Gironcoli
• [Pw_forum] pseudopotential   Stefano de Gironcoli
• [Pw_forum] Request   Stefano de Gironcoli
• [Pw_forum] Problem in Bands of Graphene Nanoribbon   Martin Gmitra
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Thomas Gruber
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Thomas Gruber
• [Pw_forum] Why does Ewald sum calculation need so much RAM   Thomas Gruber
• [Pw_forum] U calculation in LDA+U   Burak Himmetoglu
• [Pw_forum] U calculation in LDA+U   Burak Himmetoglu
• [Pw_forum] Change Fermi energy in e-ph calculation   Nicki Frank Hinsche
• [Pw_forum] Non collinear calculation   Niharika Joshi
• [Pw_forum] Pw_forum Digest, Vol 61, Issue 11   Thaneshwor Kaloni
• [Pw_forum] error with spin polarized calculation with SOC   Thaneshwor Kaloni
• [Pw_forum] RE : error with spin polarized calculation with SOC   Thaneshwor Kaloni
• [Pw_forum] RE : error with spin polarized calculation with SOC   Thaneshwor Kaloni
• [Pw_forum] Charge Density of the Graphene-Lithium System   Thaneshwor Kaloni
• [Pw_forum] Creating a vacuum and isolating cell of 2layers   Thaneshwor Kaloni
• [Pw_forum] self consistent calculation   Thaneshwor Kaloni
• [Pw_forum] Band Structure and nscf calculation   Thaneshwor Kaloni
• [Pw_forum] k points weights   Thaneshwor Kaloni
• [Pw_forum] Pseudopotential for MoS2   Axel Kohlmeyer
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] i can not see my email   Axel Kohlmeyer
• [Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete.   Axel Kohlmeyer
• [Pw_forum] pseudopotential   Axel Kohlmeyer
• [Pw_forum] k points weights   Axel Kohlmeyer
• [Pw_forum] pseudopotential   Axel Kohlmeyer
• [Pw_forum] LDA contribution   Axel Kohlmeyer
• [Pw_forum] Problem in using GGA+U for the PbSe Calculation   Emine Kucukbenli
• [Pw_forum] QE installation on standard HPC machines.   Emine Kucukbenli
• [Pw_forum] pseudopotential   Emine Kucukbenli
• [Pw_forum] Charge Density of the Graphene-Lithium System   Gulcin Kucukdalyan
• [Pw_forum] Hirshfeld Charges   Gulcin Kucukdalyan
• [Pw_forum] Bad data for namelist object mixing_mode   Ramesh Kumar
• [Pw_forum] Bad data for namelist object mixing_mode   Ramesh Kumar
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Sonu Kumar
• [Pw_forum] [***SPAM*** Score/Req: 10.00/5.0] Re: (no subject)   Sonu Kumar
• [Pw_forum] negative dr2   Sonu Kumar
• [Pw_forum] unit cell of Beta-GaSe crystal   Ayça Kırağası
• [Pw_forum] unit cell of Beta-GaSe crystal   Ayça Kırağası
• [Pw_forum] I can't find the error :-(   Duy Le
• [Pw_forum] I can't find the error   Duy Le
• [Pw_forum] Input error?   Duy Le
• [Pw_forum] Gamm-point tricks   Duy Le
• [Pw_forum] BAD TERMINATION   Duy Le
• [Pw_forum] question about compiling espresso-4.3.2-GPU   Chengyang Li
• [Pw_forum] A question about the Ph.x code.   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] A question about the Ph.x code.   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] self consistent calculation   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Error in QHA calculations   DENIS MAGERO
• [Pw_forum] Convergence issues with Bulk Magnesium   MMS
• [Pw_forum] Convergence issues with Bulk Magnesium   MMS
• [Pw_forum] Convergence issues with Bulk Magnesium   MMS
• [Pw_forum] release espresso 5.0.1   Layla Martin-Samos
• [Pw_forum] Problem in Bands of Graphene Nanoribbon   Nicola Marzari
• [Pw_forum] segfault in projwfc calculation   Giuseppe Mattioli
• [Pw_forum] where I can find BLYP USPP for Ru?   Giuseppe Mattioli
• [Pw_forum] Gamm-point tricks   Giuseppe Mattioli
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Giuseppe Mattioli
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Giuseppe Mattioli
• [Pw_forum] read out settings for ld1.x run from UPF-file   Giuseppe Mattioli
• [Pw_forum] phonon eigenvector units   David Miller
• [Pw_forum] Input error?   Pedro Augusto F. P. Moreira
• [Pw_forum] Input error?   Pedro Augusto F. P. Moreira
• [Pw_forum] bamd structure of FeS2   Abolore Musari
• [Pw_forum] Band structure of Diamagnetic system   Abolore Musari
• [Pw_forum] Band structure of Diamagnetic system   Abolore Musari
• [Pw_forum] Band structure of Diamagnetic system   Abolore Musari
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Carlo Nervi
• [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation   Koushik Pal
• [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation   Koushik Pal
• [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation   Koushik Pal
• [Pw_forum] parallelization of phonon calculations   William Parker
• [Pw_forum] parallelization of phonon calculations   William Parker
• [Pw_forum] Convergence issues with Bulk Magnesium   Lorenzo Paulatto
• [Pw_forum] regarding phonon dispersion   Lorenzo Paulatto
• [Pw_forum] Error #19 MoS2 ecutoff convergence test   Lorenzo Paulatto
• [Pw_forum] Calculation of Gibbs free energies   Lorenzo Paulatto
• [Pw_forum] Etot in cp.x vs pw.x   Lorenzo Paulatto
• [Pw_forum] ecutwfc   Lorenzo Paulatto
• [Pw_forum] Wrong representation in 5.0   Lorenzo Paulatto
• [Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF   Lorenzo Paulatto
• [Pw_forum] Error while compiling Quantum Espresso   Lorenzo Paulatto
• [Pw_forum] Error while compiling Quantum Espresso   Lorenzo Paulatto
• [Pw_forum] A question about the Ph.x code.   Claudio Perottoni
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP?   Eduardo Ariel Menendez Proupin
• [Pw_forum] reg: phonon   Swetarekha Ram
• [Pw_forum] phonon   Swetarekha Ram
• [Pw_forum] reg: Tc calculation   Swetarekha Ram
• [Pw_forum] reg: pseudopotential   Swetarekha Ram
• [Pw_forum] q not allowed when running q2r.x   "Alejandro Rébola"
• [Pw_forum] Wrong frequencies on STO phonons   "Alejandro Rébola"
• [Pw_forum] Wrong frequencies on STO phonons   "Alejandro Rébola"
• [Pw_forum] Wrong frequencies on STO phonons   "Alejandro Rébola"
• [Pw_forum] Wrong frequencies on STO phonons   "Alejandro Rébola"
• [Pw_forum] regarding phonon dispersion   Kondaiah Samudrala
• [Pw_forum] Regarding QHA calculations   Kondaiah Samudrala
• [Pw_forum] Pw_forum Digest, Vol 61, Issue 49   Kondaiah Samudrala
• [Pw_forum] Regarding QHA   Kondaiah Samudrala
• [Pw_forum] Regarding QHA calculations   Kondaiah Samudrala
• [Pw_forum] Running QHA calculations for orthorhombic structure   Kondaiah Samudrala
• [Pw_forum] RE : error with spin polarized calculation with SOC   Gabriele Sclauzero
• [Pw_forum] Old problem with cppp.x   Gabriele Sclauzero
• [Pw_forum] Old problem with cppp.x   Gabriele Sclauzero
• [Pw_forum] (no subject)   Anjali Singh
• [Pw_forum] phonon calculation at gamma point   Anjali Singh
• [Pw_forum] pwcond transmission tran_file   Alex Smogunov
• [Pw_forum] "espresso-4.3.2-GPU.tar.gz" and "espresso-5.0-GPU.tar.gz" available on QE-FORGE   Filippo Spiga
• [Pw_forum] question about compiling espresso-4.3.2-GPU   Filippo Spiga
• [Pw_forum] question about compiling espresso-4.3.2-GPU   Filippo Spiga
• [Pw_forum] Question on Fractional occupation used to generate Mg.pw91-np-van.UPF   Derek Stewart
• [Pw_forum] (no subject)   Avms T
• [Pw_forum] Bug in PW/pw_readfile   Iurii TIMROV
• [Pw_forum] q not allowed when using q2r.x to calculate a2F   Peng Tao
• [Pw_forum] GRID example of e-ph   Peng Tao
• [Pw_forum] GRID example of e-ph   Peng Tao
• [Pw_forum] q not allowed in example07   Peng Tao
• [Pw_forum] q not allowed in example07   Peng Tao
• [Pw_forum] q not allowed in example07   Peng Tao
• [Pw_forum] q not allowed in example07   Peng Tao
• [Pw_forum] q not allowed when running q2r.x   Peng Tao
• [Pw_forum] q not allowed in example07   Peng Tao
• [Pw_forum] q not allowed when running q2r.x   Peng Tao
• [Pw_forum] q not allowed when running q2r.x   Peng Tao
• [Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x   Peng Tao
• [Pw_forum] My solution to "q not allowed" in a2F run while using q2r.x   Peng Tao
• [Pw_forum] Charge density as a percentage   Gulcin Tetiker
• [Pw_forum] vc-md_NOT-STOP   Ranber Thakur
• [Pw_forum] vc-md_NOT-STOP   Ranber Thakur
• [Pw_forum] I can't find the error :-(   Davide Tiana
• [Pw_forum] I can't find the error   Davide Tiana
• [Pw_forum] I can't find the error (SOLVED!)   Davide Tiana
• [Pw_forum] k points weights   Davide Tiana
• [Pw_forum] band vs plotband output.   Davide Tiana
• [Pw_forum] pwcond transmission tran_file   Jonathan Trinastic
• [Pw_forum] Memory (RAM)   Vo, Trinh (388C)
• [Pw_forum] I can't find the error   Eric J. Walter
• [Pw_forum] I can't find the error :-(   Janet Wong
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   Franklin Zhan
• [Pw_forum] k points weights   Franklin Zhan
• [Pw_forum] Postdoc Position at UCLA Chemistry   Jin Zhang
• [Pw_forum] Error #19 MoS2 ecutoff convergence test   GAO Zhe
• [Pw_forum] Calculation of Gibbs free energies   GAO Zhe
• [Pw_forum] where I can find BLYP USPP for Ru?   GAO Zhe
• [Pw_forum] q not allowed in example07   GAO Zhe
• [Pw_forum] Bad data for namelist object mixing_mode   GAO Zhe
• [Pw_forum] help   GAO Zhe
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".   GAO Zhe
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".   GAO Zhe
• [Pw_forum] Input error?   GAO Zhe
• [Pw_forum] supercell contraction and cell_factor parameter   Zhihui Zhu
• [Pw_forum] supercell contraction and cell_factor parameter   Zhihui Zhu
• [Pw_forum] Ploting graphene energy band   Yusuf Zuntu
• [Pw_forum] strange DOS for an antiferromagnetic system   mojdeh akhavan
• [Pw_forum] K-points   ramzi alaya
• [Pw_forum] where I can find BLYP USPP for Ru?   yavar pour azar
• [Pw_forum] "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information?   yavar pour azar
• [Pw_forum] where I can find BLYP USPP for Ru?   yavar pour azar
• [Pw_forum] Fwd: "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information?   yavar pour azar
• [Pw_forum] Reciprocity of Supercells & BZ Sampling   yavar pour azar
• [Pw_forum] i can not see my email   yavar pour azar
• [Pw_forum] i can not see my email   yavar pour azar
• [Pw_forum] relax or vc-relax for supercell?   yavar pour azar
• [Pw_forum] Reciprocity of Supercells & BZ Sampling   yavar pour azar
• [Pw_forum] (no subject)   bf azi
• [Pw_forum] pseudopotential   bf azi
• [Pw_forum] pseudopotential   bf azi
• [Pw_forum] pseudopotential   bf azi
• [Pw_forum] two conflicting   bf azi
• [Pw_forum] LDA contribution   bf azi
• [Pw_forum] How to calculate NMR for negative charged system?   renpj at dicp.ac.cn
• [Pw_forum] Reminder: csatya11 at gmail.com wants to follow you   csatya11 at gmail.com
• [Pw_forum] relaxed structure output   mayank gupta
• [Pw_forum] Force constant from short range and long range interaction   mayank gupta
• [Pw_forum] BAD TERMINATION   Amir hosseini
• [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6   nazari at iasbs.ac.ir
• [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6   nazari at iasbs.ac.ir
• [Pw_forum] how to calculate and plot HOMO or LUMO isosurface   nazari at iasbs.ac.ir
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".   bamidele ibrahim
• [Pw_forum] Clarification on how to compute elastic constants   bamidele ibrahim
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed".   bamidele ibrahim
• [Pw_forum] error in DGETRF during generation of pseudopotential   bamidele ibrahim
• [Pw_forum] Etot in cp.x vs pw.x   sylvian kahane
• [Pw_forum] RE Problem with epsilon.x   sylvian kahane
• [Pw_forum] plotrho and atom core !   m
• [Pw_forum] Force constant fron ionic long range part   mayank
• [Pw_forum] core level shifting calculation   manoj narayanan
• [Pw_forum] core level shifting calculation   manoj narayanan
• [Pw_forum] Problem on compiling espresso-4.3.2   Mahdi Faghih nasiri
• [Pw_forum] Problem on runing espresso-4.3.2   Mahdi Faghih nasiri
• [Pw_forum] TDDFT with turbo_lanczos.x   henry odhiambo
• [Pw_forum] TDDFT with turbo_lanczos.x   henry odhiambo
• [Pw_forum] Gamm-point tricks   henry odhiambo
• [Pw_forum] Gamma-point tricks   henry odhiambo
• [Pw_forum] Plotting Band Structure by using Xmgrace   bramha pandey
• [Pw_forum] Gamm-point tricks   bramha pandey
• [Pw_forum] pw91 pseudopotential for Se   bramha pandey
• [Pw_forum] Types of pseudopotentials   bramha pandey
• [Pw_forum] Error in QHA calculations   bramha pandey
• [Pw_forum] Running QHA calculations for orthorhombic structure   bramha pandey
• [Pw_forum] reg: pseudopotential   mohnish pandey
• [Pw_forum] Problem in using GGA+U for the PbSe Calculation   zafar rasheed
• [Pw_forum] Re : Regarding QHA   zafar rasheed
• [Pw_forum] Error while compiling Quantum Espresso   zafar rasheed
• [Pw_forum] Types of pseudopotentials   zafar rasheed
• [Pw_forum] Error while compiling Quantum Espresso   zafar rasheed
• [Pw_forum] Error while compiling Quantum Espresso   zafar rasheed
• [Pw_forum] Error in QHA calculations   zafar rasheed
• [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation   meghdad saeedian
• [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation   meghdad saeedian
• [Pw_forum] Etot in cp.x vs pw.x   sylvian
• [Pw_forum] Plotting Band Structure by using Xmgrace   shu xu
• [Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete.   yqsu
• [Pw_forum] Problem in Bands of Graphene Nanoribbon   临风弄笛
• [Pw_forum] A question about efield   临风弄笛
• [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point   曹海元
• [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point   曹海元
• [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point   曹海元
• [Pw_forum] atomic projection in the band structure   程迎春
• [Pw_forum] confused by electron-phonon coupling recover   陈建勇

Last message date: Tue Jul 31 21:37:19 CEST 2012
Archived on: Fri Sep 28 18:03:35 CEST 2012

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