User contributions for Vaspmaster

29 April 2014

• 09:3609:36, 29 April 2014 diff hist +679‎ LANGEVIN GAMMA ‎No edit summary
• 08:1908:19, 29 April 2014 diff hist +911‎ N PSUBSYS ‎ Created page with '{{TAGDEF|PSUBSYS|[real array]}} Description: {{TAG|PSUBSYS}} sets the collision probabilities for the atoms in each atomic subsystem in calculations with multiple Anderson therm…'

28 April 2014

• 17:0617:06, 28 April 2014 diff hist +836‎ N TSUBSYS ‎ Created page with '{{TAGDEF|TSUBSYS|[real array]}} Description: {{TAG|TSUBSYS}} sets the temperatures for the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was…'
• 16:3016:30, 28 April 2014 diff hist −24‎ NSUBSYS ‎No edit summary
• 16:3016:30, 28 April 2014 diff hist −3‎ NSUBSYS ‎No edit summary
• 16:2916:29, 28 April 2014 diff hist −1‎ NSUBSYS ‎No edit summary
• 16:2916:29, 28 April 2014 diff hist +1,268‎ N NSUBSYS ‎ Created page with '{{TAGDEF|NSUBSYS|[integer array]}} Description: {{TAG|NSUBSYS}} defines the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was compiled with …'
• 16:2716:27, 28 April 2014 diff hist +31‎ MDALGO ‎No edit summary
• 16:2416:24, 28 April 2014 diff hist +7‎ MDALGO ‎ →‎{{TAG|MDALGO}}=13: Multiple Anderson thermostats
• 14:0214:02, 28 April 2014 diff hist +887‎ N VALUE MIN ‎ Created page with '{{TAGDEF|VALUE_MIN|[real array]}} Description: {{TAG|VALUE_MIN}} sets the lower limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler_f…'
• 13:5913:59, 28 April 2014 diff hist −10‎ VALUE MAX ‎No edit summary
• 13:5913:59, 28 April 2014 diff hist 0‎ VALUE MAX ‎No edit summary
• 13:5813:58, 28 April 2014 diff hist +897‎ N VALUE MAX ‎ Created page with '{{TAGDEF|VALUE_MAX|[real array]}} Description: {{TAG|VALUE_MAX}} sets the upper limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler_f…'
• 13:4913:49, 28 April 2014 diff hist +22‎ PMASS ‎No edit summary
• 13:4913:49, 28 April 2014 diff hist +22‎ LANGEVIN GAMMA L ‎No edit summary
• 13:4813:48, 28 April 2014 diff hist +22‎ LANGEVIN GAMMA ‎No edit summary
• 13:4813:48, 28 April 2014 diff hist +22‎ INCREM ‎No edit summary
• 13:4713:47, 28 April 2014 diff hist +22‎ HILLS BIN ‎No edit summary
• 13:4713:47, 28 April 2014 diff hist +22‎ HILLS W ‎No edit summary
• 13:4713:47, 28 April 2014 diff hist +22‎ HILLS H ‎No edit summary
• 13:4613:46, 28 April 2014 diff hist +22‎ SHAKEMAXITER ‎No edit summary
• 13:4613:46, 28 April 2014 diff hist +22‎ SHAKETOL ‎No edit summary
• 13:4613:46, 28 April 2014 diff hist +22‎ LBLUEOUT ‎No edit summary
• 13:4513:45, 28 April 2014 diff hist +63‎ ANDERSEN PROB ‎No edit summary
• 11:3311:33, 28 April 2014 diff hist +1,052‎ MDALGO ‎No edit summary
• 11:3011:30, 28 April 2014 diff hist 0‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
• 11:2911:29, 28 April 2014 diff hist +1,061‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
• 11:2011:20, 28 April 2014 diff hist 0‎ MDALGO ‎ →‎Slow-growth approach

25 April 2014

• 15:2715:27, 25 April 2014 diff hist −16‎ MDALGO ‎ →‎Related Tags and Sections
• 09:2909:29, 25 April 2014 diff hist +51‎ MDALGO ‎No edit summary
• 08:5408:54, 25 April 2014 diff hist +497‎ PMASS ‎No edit summary
• 08:5308:53, 25 April 2014 diff hist +1,458‎ N PMASS ‎ Created page with '{{TAGDEF|PMASS|[Real]|1000}} Description: {{TAG|PMASS}} assigns a fictitious mass (in amu) to the lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP …'
• 08:5008:50, 25 April 2014 diff hist +101‎ LANGEVIN GAMMA L ‎No edit summary
• 08:4808:48, 25 April 2014 diff hist −15‎ LANGEVIN GAMMA ‎ →‎Related Tags and Sections
• 08:4808:48, 25 April 2014 diff hist +15‎ LANGEVIN GAMMA L ‎ →‎Related Tags and Sections
• 08:4708:47, 25 April 2014 diff hist +15‎ LANGEVIN GAMMA ‎ →‎Related Tags and Sections

24 April 2014

• 16:3716:37, 24 April 2014 diff hist +42‎ LANGEVIN GAMMA ‎No edit summary
• 16:3616:36, 24 April 2014 diff hist +42‎ LANGEVIN GAMMA L ‎No edit summary
• 16:3216:32, 24 April 2014 diff hist +323‎ LANGEVIN GAMMA L ‎No edit summary
• 16:3116:31, 24 April 2014 diff hist −1‎ LANGEVIN GAMMA L ‎No edit summary
• 16:3116:31, 24 April 2014 diff hist +995‎ N LANGEVIN GAMMA L ‎ Created page with '{{TAGDEF|LANGEVIN_GAMMA_L|[Real]|0}} Description: {{TAG|LANGEVIN_GAMMA_L}} specifies the friction coefficients for lattice degrees-of-freedom in case of Parrinello-Rahman dynami…'
• 16:2716:27, 24 April 2014 diff hist +33‎ MDALGO ‎ →‎{{TAG|MDALGO}}=3: Langevin thermostat
• 16:2516:25, 24 April 2014 diff hist +33‎ LANGEVIN GAMMA ‎No edit summary
• 15:3515:35, 24 April 2014 diff hist +6‎ LANGEVIN GAMMA ‎No edit summary
• 15:3415:34, 24 April 2014 diff hist +1‎ LANGEVIN GAMMA ‎No edit summary
• 15:3415:34, 24 April 2014 diff hist +1‎ LANGEVIN GAMMA ‎No edit summary
• 15:3415:34, 24 April 2014 diff hist +206‎ LANGEVIN GAMMA ‎No edit summary
• 15:2815:28, 24 April 2014 diff hist +659‎ N LANGEVIN GAMMA ‎ Created page with '{{TAGDEF|LANGEVIN_GAMMA|[Real array]|0×number-of-species in the {{TAG|POTCAR}}-file.}} Description: {{TAG|LANGEVIN_GAMMA}} specifies the friction coefficients for the Lang…'
• 15:2415:24, 24 April 2014 diff hist +26‎ MDALGO ‎No edit summary
• 14:5114:51, 24 April 2014 diff hist +16‎ INCREM ‎ →‎Related Tags and Sections