Questaal

Overview

Questaal is a suite of electronic structure programs. The codes can be used to model arbitrary materials, but they are mostly designed to answer condensed-matter theory questions about solid state (periodic) structures.

Restrictions on use

There are no restrictions on access to the software.

Set up procedure

module load apps/intel-15.0/questaal/1

Running the application

There are a number of applications available. You can type one of these at the command-line:

analyze_lx0
blm
catdos
ccomp
cif2init
cif2site
cleargw
dqpu
dval
eps_lmfh
eps_lmfh_chipm
epsPP_lmfh
epsPP_lmfh_chipm
fmin
fplot
gw-extract-prodbas-and-time-from-output
gw-extract-qp-from-spex-output
gw_lmfh
gwsc
gwsc10shot
gwsc1shot
infgw
lm
lm67
lmchk
lmctl
lmdos
lmf
lmf2gw_0
lmf2gw_2
lmfa
lmfdmft
lmfgwd
lmfgws
lmgf
lmgw
lmgw1-shot
lmgwclear
lmgwsc
lmmc
lmpg
lmplan
lmscell
lmstr
lmxbs
mcx
m_gradzr
mkGWIN_lmf2
pfit
plbnds
pldos
poscar2init
poscar2site
rdcmd
rdfile
savegwfiles
spectral
tbe

Further info

The Questaal project website has a package overview.