March 2008 Archives by thread

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Starting: Sat Mar 1 01:00:05 CET 2008
Ending: Mon Mar 31 22:58:45 CEST 2008
Messages: 212

• [Pw_forum] Zn pp problem using ld1.x   Andres Botello
  • [Pw_forum] davcio: error # 10 when running projwfc.x   Yaser Rehem
  • [Pw_forum] davcio: error # 10 when running projwfc.x   Axel Kohlmeyer
  • [Pw_forum] davcio: error # 10 when running projwfc.x   Paolo Giannozzi
• [Pw_forum] complex band calculation   ambavale sagar
  • [Pw_forum] complex band calculation   Alexander
    • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   nazari at iasbs.ac.ir
      • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   Osman Barış Malcıoğlu
      • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   Paolo Giannozzi
      • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   nazari at iasbs.ac.ir
      • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   lan haiping
      • [Pw_forum] undefined reference to mkl_serv_load_dll'/load_fun'   Paolo Giannozzi
• [Pw_forum] stack.c in Mac OS X/Intel   Cesar R.S. da Silva
  • [Pw_forum] stack.c in Mac OS X/Intel   Paolo Giannozzi
    • [Pw_forum] stack.c in Mac OS X/Intel   Axel Kohlmeyer
• [Pw_forum] how to cite pwscf   Nicola Marzari
• [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Giovanni Cantele
  • [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Axel Kohlmeyer
    • [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Giovanni Cantele
      • [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Paolo Giannozzi
      • [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Giovanni Cantele
      • [Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4   Axel Kohlmeyer
• [Pw_forum] complex band calculation   ambavale sagar
  • [Pw_forum] complex band calculation   Paolo Giannozzi
• [Pw_forum] postdoctoral positions and internships in first-principles computational materials science, MIT   Nicola Marzari
• [Pw_forum] How to get ionization potential   Jianguo Wang (jianguow at Princeton.EDU)
  • [Pw_forum] How to get ionization potential   Paolo Giannozzi
• [Pw_forum] bfgs vc-relaxation in 4.0cvs   Jess Kondor
  • [Pw_forum] bfgs vc-relaxation in 4.0cvs   j.antonio.montoya at gmail.com
  • [Pw_forum] bfgs vc-relaxation in 4.0cvs   Jess Kondor
• [Pw_forum] ultrasoft pseudopotential   Y.L. Xie
  • [Pw_forum] ultrasoft pseudopotential   Axel Kohlmeyer
    • [Pw_forum] ultrasoft pseudopotential   Stefano Baroni
• [Pw_forum] questions about some parameter in cp.x   hyello25 Qgrui
  • [Pw_forum] questions about some parameter in cp.x   Paolo Giannozzi
• [Pw_forum] questions on the acoustic sum rule crystal   Eduardo Ariel Menendez Proupin
  • [Pw_forum] questions on the acoustic sum rule crystal   Nicola Marzari
    • [Pw_forum] questions on the acoustic sum rule crystal   stewart at cnf.cornell.edu
• [Pw_forum] calculation with 'CONSTRAINTS' cards   shruba at gmail.com
  • [Pw_forum] calculation with 'CONSTRAINTS' cards   Paolo Giannozzi
• [Pw_forum] Significant figures of band energies   EG Kim
  • [Pw_forum] Significant figures of band energies   Paolo Giannozzi
• [Pw_forum] k point selection.   Li yan-ling
  • [Pw_forum] k point selection.   Paolo Giannozzi
• [Pw_forum] H pseudopotential   Marci
• [Pw_forum] Pw_forum Digest, Vol 9, Issue 11   EG Kim
• [Pw_forum] Problem to calculate Charge density measurement of Tantalum diboride(TaB2)   Nusrat Jahan
  • [Pw_forum] seeking transition metal oxide atomic positions and cell vectors   Yaser Rehem
• [Pw_forum] dangling bond   ali kazempoor
  • [Pw_forum] dangling bond   Paolo Giannozzi
• [Pw_forum] charged species   Igor Pasti
  • [Pw_forum] charged species   Nicola Marzari
    • [Pw_forum] chdens.x   Álvaro Alves
      • [Pw_forum] chdens.x   Giovanni Cantele
• [Pw_forum] linking fftw?   ambavale sagar
  • [Pw_forum] linking fftw?   Paolo Giannozzi
• No subject  
• [Pw_forum] How to compile pwscf on hp-ux ia64   Jun Dai
  • [Pw_forum] How to compile pwscf on hp-ux ia64   Paolo Giannozzi
• [Pw_forum] How to compile pwscf on hp-ux ia64   Jun Dai
  • [Pw_forum] How to compile pwscf on hp-ux ia64   Axel Kohlmeyer
• [Pw_forum] charged species (Nicola Marzari)   Igor Pasti
• [Pw_forum] Pentium-M versus Itanium   Miguel Martínez Canales
  • [Pw_forum] Pentium-M versus Itanium   Axel Kohlmeyer
    • [Pw_forum] Pentium-M versus Itanium   Aleksandr Shaposhnikov
    • [Pw_forum] Benchmarks (was Pentium-M versus Itanium)   Nicola Marzari
      • [Pw_forum] Benchmarks (was Pentium-M versus Itanium)   Aleksandr Shaposhnikov
      • [Pw_forum] Benchmarks (was Pentium-M versus Itanium)   Paolo Giannozzi
      • [Pw_forum] Benchmarks (was Pentium-M versus Itanium)   Nicola Marzari
      • [Pw_forum] Benchmarks (was Pentium-M versus Itanium)   Axel Kohlmeyer
      • [Pw_forum] Pentium-M versus Itanium   Paolo Giannozzi
      • [Pw_forum] Pentium-M versus Itanium   Miguel Martínez Canales
      • [Pw_forum] Pentium-M versus Itanium   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 9, Issue 14   Viet Bac
• [Pw_forum] Combining WFC files?   Min Seung Kyu
  • [Pw_forum] Combining WFC files?   Zhu Xi
    • [Pw_forum] Combining WFC files?   Paolo Giannozzi
    • [Pw_forum] Combining WFC files?   Andrea Ferretti
• [Pw_forum] Mass of the atomic for relax   Viet Bac
  • [Pw_forum] Mass of the atomic for relax   Paolo Giannozzi
    • [Pw_forum] Mass of the atomic for relax   Álvaro Alves
      • [Pw_forum] Mass of the atomic for relax   Paolo Giannozzi
      • [Pw_forum] Mass of the atomic for relax   Álvaro Alves
      • [Pw_forum] Mass of the atomic for relax   Álvaro Alves
      • [Pw_forum] Mass of the atomic for relax   Paolo Giannozzi
• [Pw_forum] Running espresso-3.2.3 examples   Amos Leffler
  • [Pw_forum] Running espresso-3.2.3 examples   Axel Kohlmeyer
• [Pw_forum] I want to   r95222066 at ntu.edu.tw
• [Pw_forum] I want to ask how to construct anti-ferromagnetic structure ?   r95222066 at ntu.edu.tw
  • [Pw_forum] I want to ask how to construct anti-ferromagnetic structure ?   Axel Kohlmeyer
• [Pw_forum] I wnat to ask why the DOS calculation of conduction part disappeared ?   r95222066 at ntu.edu.tw
  • [Pw_forum] I wnat to ask why the DOS calculation of conduction part disappeared ?   Axel Kohlmeyer
• [Pw_forum] I wnat to ask how to use the code" projectwfc.x" output to calculation magnetic moment ?   r95222066 at ntu.edu.tw
  • [Pw_forum] I wnat to ask how to use the code" projectwfc.x" output to calculation magnetic moment ?   Paolo Giannozzi
• [Pw_forum] Calculation on zeolite   Peter Winey
  • [Pw_forum] Calculation on zeolite   lan haiping
    • [Pw_forum] Calculation on zeolite   Peter Winey
• [Pw_forum] zero energy reference   Ramiro Cardona
  • [Pw_forum] zero energy reference   Paolo Giannozzi
• [Pw_forum] where to find the difference bwtween new pre-release 4.0CVS version and older   xu yuehua
  • [Pw_forum] where to find the difference bwtween new pre-release 4.0CVS version and older   Paolo Giannozzi
    • [Pw_forum] where to find the difference bwtween new pre-release 4.0CVS version and older   xu yuehua
      • [Pw_forum] where to find the difference bwtween new pre-release 4.0CVS version and older   Paolo Giannozzi
• [Pw_forum] make error when installing espresso-3.2.3 in linux machine   xu yuehua
  • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   Paolo Giannozzi
    • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   xu yuehua
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   Lorenzo Paulatto
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   Paolo Giannozzi
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   Lorenzo Paulatto
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   xu yuehua
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   lan haiping
      • [Pw_forum] make error when installing espresso-3.2.3 in linux machine   xu yuehua
• [Pw_forum] electron-phonon calculation   Chao
  • [Pw_forum] electron-phonon calculation   Paolo Giannozzi
    • [Pw_forum] 回复： Re: electron-phonon calculation   Chao
• [Pw_forum] pw.x stops with "Starting wfc are atomic"   zhs064
  • [Pw_forum] pw.x stops with "Starting wfc are atomic"   Axel Kohlmeyer
• [Pw_forum] En: i/o erro in davcio   Álvaro Alves
  • [Pw_forum] En: i/o erro in davcio   Axel Kohlmeyer
    • [Pw_forum] En: i/o erro in davcio   Álvaro Alves
• [Pw_forum] compiling failer   程迎春
  • [Pw_forum] compiling failer   Axel Kohlmeyer
  • [Pw_forum] compiling failer   lan haiping
• [Pw_forum] pw error during compilation   sreekar guddeti
  • [Pw_forum] pw error during compilation   Paolo Giannozzi
• [Pw_forum] Fwd: compiling failer   程迎春
  • [Pw_forum] Fwd: compiling failer   Paolo Giannozzi
• [Pw_forum] Anti-ferromagnetic Problem   r95222066 at ntu.edu.tw
  • [Pw_forum] Anti-ferromagnetic Problem   Paolo Giannozzi
• [Pw_forum] Magnetic Moment calculation for pdos.out file   r95222066 at ntu.edu.tw
• [Pw_forum] Pw_forum Digest, Vol 9, Issue 26   sreekar guddeti
  • [Pw_forum] Pw_forum Digest, Vol 9, Issue 26   Paolo Giannozzi
• [Pw_forum] from projwfc : error # 90 (fwd)   Karoly Nemeth
  • [Pw_forum] from projwfc : error # 90 (fwd)   Axel Kohlmeyer
  • [Pw_forum] from projwfc : error # 90 (fwd)   Paolo Giannozzi
• [Pw_forum] Spin-polarization plot   r95222066 at ntu.edu.tw
• [Pw_forum] Fermi-surface spin-polarization code ?   r95222066 at ntu.edu.tw
  • [Pw_forum] Fermi-surface spin-polarization code ?   lan haiping
  • [Pw_forum] Fermi-surface spin-polarization code ?   Paolo Giannozzi
• [Pw_forum] the output of pwcond.x   程迎春
  • [Pw_forum] the output of pwcond.x   lan haiping
    • [Pw_forum] program modification of virtual.f90   yukihiro_okuno at fujifilm.co.jp
      • [Pw_forum] program modification of virtual.f90   Stefano Baroni
• [Pw_forum] error in relaxation   madhura at jncasr.ac.in
  • [Pw_forum] error in relaxation   Paolo Giannozzi
    • [Pw_forum] error in relaxation   madhura at jncasr.ac.in
      • [Pw_forum] error in relaxation   Paolo Giannozzi
• [Pw_forum] why there is no code for the constant of e-p coupling for nonmetal?is there any difficulty for nonmetal?   xu yuehua
  • [Pw_forum] why there is no code for the constant of e-p coupling for nonmetal?is there any difficulty for nonmetal?   Yansun Yao
  • [Pw_forum] why there is no code for the constant of e-p couplingfor nonmetal?is there any difficulty for nonmetal?   Huiqun Zhou
  • [Pw_forum] why there is no code for the constant of e-p couplingfor nonmetal?is there any difficulty for nonmetal?   Huiqun Zhou
    • [Pw_forum] why there is no code for the constant of e-p couplingfor nonmetal?is there any difficulty for nonmetal?   xu yuehua
    • [Pw_forum] program modification of virtual.f90 2 (different riiner)   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] SIC in quantum-espresso   Agostino Migliore
• [Pw_forum] pain in running example   sreekar guddeti
  • [Pw_forum] pain in running example   Axel Kohlmeyer
    • [Pw_forum] pain in running example   Paolo Giannozzi
• [Pw_forum] CaCuO2 and LDA+U   Chao Cao
  • [Pw_forum] CaCuO2 and LDA+U   Chao Cao
    • [Pw_forum] CaCuO2 and LDA+U   Axel Kohlmeyer
  • [Pw_forum] CaCuO2 and LDA+U   Matteo Cococcioni
• [Pw_forum] Pw_forum Digest, Vol 9, Issue 31   sreekar guddeti
  • [Pw_forum] Pw_forum Digest, Vol 9, Issue 31   Andrea Ferretti
    • [Pw_forum] Pw_forum Digest, Vol 9, Issue 31   Axel Kohlmeyer
• [Pw_forum] (no subject)   程迎春
  • [Pw_forum] (no subject)   Axel Kohlmeyer
    • [Pw_forum] (no subject)   程迎春
      • [Pw_forum] (no subject)   Chao Cao
• [Pw_forum] error when run example02 in 3.2.package   xu yuehua
  • [Pw_forum] error when run example02 in 3.2.package   lan haiping
    • [Pw_forum] error when run example02 in 3.2.package   xu yuehua
      • [Pw_forum] error when run example02 in 3.2.package   Axel Kohlmeyer
      • [Pw_forum] error when run example02 in 3.2.package   Huiqun Zhou
• [Pw_forum] el-ph error in package3.2.3   xu yuehua
  • [Pw_forum] el-ph error in package3.2.3   Dal Corso Andrea
  • [Pw_forum] el-ph error in package3.2.3   xu yuehua
  • [Pw_forum] el-ph error in package3.2.3   Dal Corso Andrea
• [Pw_forum] non collinear magnetism   Rudra Banerjee
  • [Pw_forum] non collinear magnetism   lan haiping
• [Pw_forum] non collinear magnetism   Rudra Banerjee
• [Pw_forum] SIC in quantum-espresso   Agostino Migliore
• [Pw_forum] electron-phonon interaction   Li yan-ling
  • [Pw_forum] electron-phonon interaction   Axel Kohlmeyer
    • [Pw_forum] electron-phonon interaction   Paolo Giannozzi
• [Pw_forum] symmetry of phonon modes   Munima Bora Sahariah
  • [Pw_forum] symmetry of phonon modes   Dal Corso Andrea
• [Pw_forum] problems on optimization   Jun Dai
  • [Pw_forum] problems on optimization   Stefano Baroni
• [Pw_forum] lsign = .true.   EG Kim
  • [Pw_forum] lsign = .true.   Dal Corso Andrea
• [Pw_forum] env variable for libgfortran.so.2   William J Brouwer
  • [Pw_forum] env variable for libgfortran.so.2   lan haiping
    • [Pw_forum] env variable for libgfortran.so.2   Paolo Giannozzi
  • [Pw_forum] env variable for libgfortran.so.2   Ari P Seitsonen
• [Pw_forum] I/O problem on MPI?   Charles Chen
• [Pw_forum] Exceptionally large charge density cut-off   Subhradip Ghosh
• [Pw_forum] difference between P63 and P63/mmc space groups   wangjunjie1981_0
• [Pw_forum] SWCNT (6,6)   zahra sadat naghavi
• [Pw_forum] I cannot get my .dyn(m-n) file   herofather
  • [Pw_forum] I cannot get my .dyn(m-n) file   Eyvaz Isaev
  • [Pw_forum] I cannot get my .dyn(m-n) file   Viet Huy Nguyen
  • [Pw_forum] I cannot get my .dyn(m-n) file   Viet Huy Nguyen
  • [Pw_forum] I cannot get my .dyn(m-n) file   Viet Huy Nguyen
    • [Pw_forum] Post-doc position in materials modeling in Paris   Gilles Hug
• [Pw_forum] band energies   Helen
  • [Pw_forum] band energies   Nicola Marzari
    • [Pw_forum] band energies   Helen
• [Pw_forum] I cannot get my .dyn(m-n) file   Rudra Banerjee
• [Pw_forum] lsign = .true.   EG Kim
• [Pw_forum] hartree potential   willy kohn
  • [Pw_forum] hartree potential   Nicholas E. Singh-Miller
    • [Pw_forum] hartree potential   willy kohn

Last message date: Mon Mar 31 22:58:45 CEST 2008
Archived on: Tue Apr 1 21:38:18 CEST 2008

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