October 2014 Archives by author

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Starting: Wed Oct 1 08:30:21 UTC 2014
Ending: Fri Oct 31 14:03:05 UTC 2014
Messages: 125

• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• [CP2K:5728] Re: Nickel cell optimization   Alex
• [CP2K:5730] Re: Nickel cell optimization   Alex
• NPT calculation on CP2K   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Clean kill   Samuel Andermatt
• CUDA-DBCSR Statistics   Samuel Andermatt
• Is it possible to calculate wannier centers every 100 MD steps   Samuel Andermatt
• dielectric function   Samuel Andermatt
• dielectric function   Samuel Andermatt
• Generating new blocksizes to LIBCUSMM   Samuel Andermatt
• CP2K running slow   Samuel Andermatt
• CP2K running slow   Samuel Andermatt
• Generating new blocksizes to LIBCUSMM   Samuel Andermatt
• [CP2K:5789] Re: CP2K running slow   Samuel Andermatt
• [CP2K:5789] Re: CP2K running slow   Samuel Andermatt
• Grimme's van-der-Waals corrections - Parameter file missing   Michael B
• Problem with DAVIDSON algorithm   Michael B
• CUDA-DBCSR Statistics   Abhishek Bagusetty
• Issue Compiling CP2K(POPT) - MPI + CUDA   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Generating new blocksizes to LIBCUSMM   Abhishek Bagusetty
• Generating new blocksizes to LIBCUSMM   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• Error building libsmm   Abhishek Bagusetty
• LIBCUSMM for PBS batch system   Abhishek Bagusetty
• [CP2K:5792] error in exercise(ETHZ) - Lecture 6   Michael Banck
• [CP2K:5775] CP2K running slow   Michael Banck
• [CP2K:5728] Re: Nickel cell optimization   Noam Bernstein
• [CP2K:5730] Re: Nickel cell optimization   Noam Bernstein
• accurate forces for nonperiodic calculation   Noam Bernstein
• [CP2K:5761] Re: accurate forces for nonperiodic calculation   Noam Bernstein
• [CP2K:5761] Re: accurate forces for nonperiodic calculation   Noam Bernstein
• TDDFPT implementation   Andrei Buin
• [CP2K:5690] TDDFPT implementation   Andrei Buin
• [CP2K:5718] CP2K build on Stampede   Hanning Chen
• Clean kill   Daria
• Clean kill   Daria
• BMB potential in Cp2K   Getachew Gizaw
• [CP2K:5743] Re: BMB potential in Cp2K   Getachew Gizaw
• GEOMETRY wrong or EMAX_SPLINE too small   Getachew Gizaw
• ERROR in open_file (MODULE cp_files)   Getachew Gizaw
• Bug? Weird behaviour for FIXED_ATOMS in GEO_OPT (recent CP2K versions)   Jean-Marie
• Compilation error of cp2k sopt version under intel compiler (xc_atom.F causes problem)   Kyeong-jun Jeong
• Energy Conservation Problems   Matthias Krack
• Nickel cell optimization   Matthias Krack
• Nickel cell optimization   Matthias Krack
• Nickel cell optimization   Matthias Krack
• [CP2K:5801] CP2K running slow   Teodoro Laino
• [CP2K:5796] CP2K running slow   Teodoro Laino
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• Error building libsmm   Alfio Lazzaro
• CP2K build on Stampede   Ondrej Marsalek
• [CP2K:5730] CP2K build on Stampede   Ondrej Marsalek
• AIMD simulation: increase of the number of the SCF cycles per MD step after some MD steps   Max
• Energy Conservation Problems   August Melcher
• Energy Conservation Problems   August Melcher
• accurate forces for nonperiodic calculation   Noam
• Regression test issues   Justin Oelgoetz
• CP2K running slow   Tanmoy Paul
• CP2K running slow   Tanmoy Paul
• [CP2K:5789] Re: CP2K running slow   Tanmoy Paul
• [CP2K:5789] Re: CP2K running slow   Tanmoy Paul
• [CP2K:5712] Possible bug in DFT-D3   Petko Petkov
• [CP2K:5706] Possible bug in DFT-D3   Carlo Antonio Pignedoli
• [CP2K:5684] Clean kill   Jörg Saßmannshausen
• Nickel cell optimization   Florian Schiffmann
• Possible bug in DFT-D3   Florian Schiffmann
• [CP2K:5706] Possible bug in DFT-D3   Florian Schiffmann
• [CP2K:5742] Grimme's van-der-Waals corrections - Parameter file missing   Ari Paavo Seitsonen
• error in exercise(ETHZ) - Lecture 6   TBLEE
• Possible bug in DFT-D3   Leopold Talirz
• Possible bug in DFT-D3   Leopold Talirz
• BMB potential in Cp2K   Matt W
• Choosing the right system size - supercell   Matt W
• GEOMETRY wrong or EMAX_SPLINE too small   Matt W
• Nickel cell optimization   Matt W
• Nickel cell optimization   Matt W
• dielectric function   Matt W
• accurate forces for nonperiodic calculation   Matt W
• POL_SCF and Quadrupoles   Johannes Wagner
• charge restrained MD   Miłosz Wieczór
• DFTB PDOS   Robert Yang
• [CP2K:5718] DFTB PDOS   Robert Yang
• [CP2K:5726] DFTB PDOS   Robert Yang
• [CP2K:5616] Compiling-with-plumed option disappeared in trunk version?   Kaneta Yuske
• Rapid decrease in volume during constant pressure calculation   bharat
• [CP2K:5738] Rapid decrease in volume during constant pressure calculation   bharat
• Frequency dependent dielectric constant calculation   bharat
• [CP2K:5690] TDDFPT implementation   hut... at chem.uzh.ch
• [CP2K:5703] Possible bug in DFT-D3   hut... at chem.uzh.ch
• [CP2K:5710] Possible bug in DFT-D3   hut... at chem.uzh.ch
• [CP2K:5713] Possible bug in DFT-D3   hut... at chem.uzh.ch
• [CP2K:5718] DFTB PDOS   hut... at chem.uzh.ch
• [CP2K:5726] DFTB PDOS   hut... at chem.uzh.ch
• [CP2K:5738] Rapid decrease in volume during constant pressure calculation   hut... at chem.uzh.ch
• [CP2K:5764] Energy Conservation Problems   hut... at chem.uzh.ch
• [CP2K:5788] Re: CP2K running slow   hut... at chem.uzh.ch
• [CP2K:5794] Problem with DAVIDSON algorithm   hut... at chem.uzh.ch
• optical conductivity and transmittance   mohamed khuili
• dielectric function   mohamed khuili
• dielectric function   mohamed khuili
• dielectric function   mohamed khuili
• dielectric function   mohamed khuili
• [CP2K:5703] Possible bug in DFT-D3   yakutovich
• Is it possible to calculate wannier centers every 100 MD steps   姚懿

Last message date: Fri Oct 31 14:03:05 UTC 2014
Archived on: Thu Mar 3 11:47:33 UTC 2022

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