Karsai: Created page with "#Set the standard MD-related tags: {{TAG|IBRION}}=0, {{TAG|TEBEG}}, {{TAG|POTIM}}, and {{TAG|NSW}}. #Set {{TAG|ISIF}}=2. #Set {{TAG|MDALGO}}=3 to invoke the Langevin thermosta..."

2019-06-04T11:12:17Z

Created page with "#Set the standard MD-related tags: {{TAG|IBRION}}=0, {{TAG|TEBEG}}, {{TAG|POTIM}}, and {{TAG|NSW}}. #Set {{TAG|ISIF}}=2. #Set {{TAG|MDALGO}}=3 to invoke the Langevin thermosta..."

New page

#Set the standard MD-related tags: {{TAG|IBRION}}=0, {{TAG|TEBEG}}, {{TAG|POTIM}}, and {{TAG|NSW}}.
#Set {{TAG|ISIF}}=2.
#Set {{TAG|MDALGO}}=3 to invoke the Langevin thermostat.
#Specify friction coefficients for all species in the {{FILE|POSCAR}} file, by means of the {{TAG|LANGEVIN_GAMMA}}-tag.

Template:NVT Langevin thermostat recipe - Revision history

Karsai: Created page with "#Set the standard MD-related tags: {{TAG|IBRION}}=0, {{TAG|TEBEG}}, {{TAG|POTIM}}, and {{TAG|NSW}}. #Set {{TAG|ISIF}}=2. #Set {{TAG|MDALGO}}=3 to invoke the Langevin thermosta..."