April 2003 Archives by thread

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Starting: Tue Apr 1 15:11:38 CEST 2003
Ending: Mon Apr 28 17:53:53 CEST 2003
Messages: 60

• [CPMD-list] help   cdy2000 at vip.sina.com
• [CPMD-list] Qestions on MD simulation!   Du Aijun
  • [CPMD-list] Qestions on MD simulation!   Axel Kohlmeyer
• [CPMD-list] Problems on running cpmd2cube!!   Du Aijun
  • [CPMD-list] Problems on running cpmd2cube!!   Hakan Hugosson
• [CPMD-list] Some problems on restart CPMD   c00ycl00
  • [CPMD-list] Some problems on restart CPMD   Juerg Hutter
• [CPMD-list] How to compile for Sun machine   mkosmows
  • [CPMD-list] How to compile for Sun machine   Axel Kohlmeyer
  • [CPMD-list] How to compile for Sun machine   Juerg Hutter
• [CPMD-list] Using SCALE with a triclinic crystal   mkosmows
  • [CPMD-list] Using SCALE with a triclinic crystal   Juerg Hutter
• [CPMD-list] PROGRAM STOPS IN SUBROUTINE RGMOPT   cdy2000 at vip.sina.com
  • [CPMD-list] PROGRAM STOPS IN SUBROUTINE RGMOPT   Juerg Hutter
  • [CPMD-list] PROGRAM STOPS IN SUBROUTINE RGMOPT   HW Sheng
  • [CPMD-list] cpmd2cube bug   HW Sheng
• [CPMD-list] Using SCALE with a triclinic crystal   mkosmows
  • [CPMD-list] Using SCALE with a triclinic crystal   Juerg Hutter
• [CPMD-list] Convergence is still too bad !!   Du Aijun
  • [CPMD-list] Convergence is still too bad !!   Juerg Hutter
• [CPMD-list] Ewald   Audrius Alkauskas
• [CPMD-list] Ewald corrected   Audrius Alkauskas
  • [CPMD-list] Ewald corrected   Juerg Hutter
• [CPMD-list] Hockney   Audrius Alkauskas
  • [CPMD-list] Hockney   Juerg Hutter
• [CPMD-list] Hockney no html   Audrius Alkauskas
• [CPMD-list] Install with Redhat 7.3 and ABSOFT compiler   Yamaki Takayoshi
• [CPMD-list] "ODIIS| Insufficient progress; reset!"   cdy2000 at vip.sina.com
  • [CPMD-list] "ODIIS| Insufficient progress; reset!"   Juerg Hutter
• [CPMD-list] Using SCALE with a triclinic crystal   mkosmows
• [CPMD-list] Problem on abnormal stop!   Du Aijun
• [CPMD-list] Geometry optimization!   Du Aijun
• [CPMD-list] Geometry optimization!   Salomon Billeter
• [CPMD-list] Some examples of CPMD input   Sidney Ramos de Santana
• [CPMD-list] cpmd2cube bug   HW Sheng
• [CPMD-list] QM/MM simulation   wei
  • [CPMD-list] QM/MM simulation   Soohaeng Yoo
  • [CPMD-list] QM/MM simulation   Juerg Hutter
• [CPMD-list] Help on obtaining a buckled Si(001) surface?   Du Aijun
  • [CPMD-list] Help on obtaining a buckled Si(001) surface?   Juerg Hutter
• [CPMD-list] two parts in h_ps.adat   cdy2000 at vip.sina.com
• [CPMD-list] Help on obtaining a buckled Si(001) surface?   Thierry Deutsch
• [CPMD-list] Memory   Sergey
  • [CPMD-list] Memory   Ari.P.Seitsonen at iki.fi
• [CPMD-list] FAILED TO CONVERGE WHEN DIAGONALIZING A   Sergey
• [CPMD-list] FAILED TO CONVERGE WHEN DIAGONALIZING A   Sergey
  • [CPMD-list] FAILED TO CONVERGE WHEN DIAGONALIZING A   Ari.P.Seitsonen at iki.fi
    • [CPMD-list] System co-ordinates   Keta Jones
      • [CPMD-list] System co-ordinates   Axel Kohlmeyer
• [CPMD-list] What effect do the assumed Hydrogen Bonds play?   mkosmows
  • [CPMD-list] What effect do the assumed Hydrogen Bonds play?   Juerg Hutter
    • [CPMD-list] What effect do the assumed Hydrogen Bonds play?   Alessandro Curioni
• [CPMD-list] Problems with the abnormal stop!   =?gb2312?q?Adrain=20Zhou?=
• [CPMD-list] Problems with the abnormal stop!   Salomon Billeter
• [CPMD-list] PROGRAM STOPS IN SUBROUTINE UINV| ILLEGA   cdy2000 at vip.sina.com
  • [CPMD-list] PROGRAM STOPS IN SUBROUTINE UINV| ILLEGA   Juerg Hutter
• [CPMD-list] Compile question for PC-MPI   zxdai at theory.issp.ac.cn
  • [CPMD-list] Compile question for PC-MPI   Axel Kohlmeyer
• [CPMD-list] Visualising unoccupied orbitals   Ermin Catic
  • [CPMD-list] Visualising unoccupied orbitals   Juerg Hutter

Last message date: Mon Apr 28 17:53:53 CEST 2003
Archived on: Sat Mar 10 00:14:53 CET 2007

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