August 2012 Archives by author

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Starting: Wed Aug 1 08:33:04 UTC 2012
Ending: Fri Aug 31 03:51:44 UTC 2012
Messages: 51

• [CP2K:3953] Quick DBCSR matrix question   Adam
• dbcsr   Adam
• [CP2K:3984] dbcsr   Adam
• [CP2K:3984] dbcsr   Adam
• creating a sparse dbcsr matrix   Adam
• [CP2K:3992] creating a sparse dbcsr matrix   Adam
• [CP2K:3975] CP2K PM6 result does not consistent with MOPAC PM6   Michael Banck
• [CP2K:3976] CP2K PM6 result does not consistent with MOPAC PM6   Michael Banck
• [CP2K:3970] How to open the EXTERNAL FILE in CP2K   Iain Bethune
• [CP2K:3959] Quick DBCSR matrix question   Urban Borštnik
• [CP2K:3966] returning values from a dbcsr matrix   Urban Borštnik
• [CP2K:3984] dbcsr   Urban Borštnik
• [CP2K:3992] creating a sparse dbcsr matrix   Urban Borštnik
• how to use leap2fist or to dump PSF   Chuong
• Implementing new force field Tight-Binding Second Moment Approximation (TB-SMA)   Chuong
• [CP2K:1372] EAM Force Field for Au   Chuong
• [CP2K:3997] EAM Force Field for Au   Chuong
• linear scaling DFT   Andreas Funk
• CELL_OPT keyword   Andreas Funk
• linear scaling DFT   Andreas Funk
• [CP2K:3997] EAM Force Field for Au   Dorothea Golze
• cubic lattice   Mahjoubi Khaled
• GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   Lavinia
• [CP2K:3995] GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   Lavinia
• getting MO cube files   Madeleine Ronin
• Fwd: optimisation problem   Bonakala Satyanarayana
• [CP2K:3974] CP2K PM6 result does not consistent with MOPAC PM6   Bharat Sharma
• [CP2K:3978] CP2K PM6 result does not consistent with MOPAC PM6   Bharat Sharma
• how to use leap2fist or to dump PSF   Yue
• [CP2K:3958] how to use leap2fist or to dump PSF   Yue
• [CP2K:3949] pw_grid_assign error   Yue
• How to open the EXTERNAL FILE in CP2K   bharat
• CP2K PM6 result does not consistent with MOPAC PM6   bharat
• atomic_charge   anirban mondal
• [CP2K:3981] atomic_charge   anirban mondal
• Apply_Delta_Pulse: dipole moments are the same for each direction   nadler
• [CP2K:3952] pw_grid_assign error   hut... at pci.uzh.ch
• [CP2K:3949] pw_grid_assign error   hut... at pci.uzh.ch
• [CP2K:3953] Quick DBCSR matrix question   hut... at pci.uzh.ch
• [CP2K:3961] linear scaling DFT   hut... at pci.uzh.ch
• [CP2K:3964] Re: linear scaling DFT   hut... at pci.uzh.ch
• [CP2K:3972] Implementing new force field Tight-Binding Second Moment Approximation (TB-SMA)   hut... at pci.uzh.ch
• [CP2K:3974] CP2K PM6 result does not consistent with MOPAC PM6   hut... at pci.uzh.ch
• [CP2K:3975] CP2K PM6 result does not consistent with MOPAC PM6   hut... at pci.uzh.ch
• [CP2K:3979] atomic_charge   hut... at pci.uzh.ch
• [CP2K:3980] getting MO cube files   hut... at pci.uzh.ch
• [CP2K:3995] GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   hut... at pci.uzh.ch
• [CP2K:4000] GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   hut... at pci.uzh.ch
• [CP2K:4002] EAM Force Field for Au   hut... at pci.uzh.ch
• geometry optimization unstable   sandeep
• geometry optimization unstable   sandeep

Last message date: Fri Aug 31 03:51:44 UTC 2012
Archived on: Thu Mar 3 11:47:30 UTC 2022

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