# fix nvt/sllod/eff command ## Syntax fix ID group-ID nvt/sllod/eff keyword value ... - ID, group-ID are documented in [fix](fix) command - nvt/sllod/eff = style name of this fix command - zero or more keyword/value pairs may be appended keyword = *psllod* *psllod* value = *no* or *yes* = use SLLOD or p-SLLOD variant, respectively - additional thermostat related keyword/value pairs from the [fix nvt/eff](fix_nh_eff) command may be appended, too. ## Examples ``` LAMMPS fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1 fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1 drag 0.2 ``` ## Description Perform constant NVT integration to update positions and velocities each timestep for nuclei and electrons in the group for the [electron force field](pair_eff) model, using a Nose/Hoover temperature thermostat. V is volume; T is temperature. This creates a system trajectory consistent with the canonical ensemble. The operation of this fix is exactly like that described by the [fix nvt/sllod](fix_nvt_sllod) command, except that the radius and radial velocity of electrons are also updated and thermostatted. Likewise the temperature calculated by the fix, using the compute it creates (as discussed in the [fix nvt, npt, and nph](fix_nh) doc page), is performed with a [compute temp/deform/eff](compute_temp_deform_eff) command that includes the eFF contribution to the temperature from the electron radial velocity. ## Restart, fix_modify, output, run start/stop, minimize info This fix writes the state of the Nose/Hoover thermostat to [binary restart files](restart). See the [read_restart](read_restart) command for info on how to re-specify a fix in an input script that reads a restart file, so that the operation of the fix continues in an uninterrupted fashion. The [fix_modify](fix_modify) *temp* option is supported by this fix. You can use it to assign a [compute](compute) you have defined to this fix which will be used in its thermostatting procedure. The cumulative energy change in the system imposed by this fix is included in the [thermodynamic output](thermo_style) keywords *ecouple* and *econserve*. See the [thermo_style](thermo_style) doc page for details. This fix computes the same global scalar and global vector of quantities as does the [fix nvt/eff](fix_nh_eff) command. This fix can ramp its target temperature over multiple runs, using the *start* and *stop* keywords of the [run](run) command. See the [run](run) command for details of how to do this. This fix is not invoked during [energy minimization](minimize). ## Restrictions This fix is part of the EFF package. It is only enabled if LAMMPS was built with that package. See the [Build package](Build_package) page for more info. This fix works best without Nose-Hoover chain thermostats, i.e. using tchain = 1. Setting tchain to larger values can result in poor equilibration. ## Related commands [fix nve/eff](fix_nve_eff), [fix nvt/eff](fix_nh_eff), [fix langevin/eff](fix_langevin_eff), [fix nvt/sllod](fix_nvt_sllod), [fix_modify](fix_modify), [compute temp/deform/eff](compute_temp_deform_eff) ## Default Same as [fix nvt/eff](fix_nh_eff), except tchain = 1. ------------------------------------------------------------------------ ::: {#Tuckerman2} **(Tuckerman)** Tuckerman, Mundy, Balasubramanian, Klein, J Chem Phys, 106, 5615 (1997). :::