Download Latest Version rmgdft-4.1.0.tar.gz (62.3 MB)
Email in envelope

Get an email when there's a new version of RMGDFT

Home / Releases / 1.0 / Examples / RMG2BGW_examples / silicon8 / RMG
Name Modified Size InfoDownloads / Week
Parent folder
00-kgrid 2014-11-19
0
01-quench 2014-11-19
0
02-wfn 2014-11-19
0
03-wfnq 2014-11-19
0
04-wfn_co 2014-11-19
0
05-wfn_fi 2014-11-19
0
06-wfnq_fi 2014-11-19
0
script_0 2014-11-19 281 Bytes
0
script_1 2014-11-19 855 Bytes
0
script_2 2014-11-19 321 Bytes
0
Totals: 10 Items   1.5 kB 0 
# BULK SILICON - 8 Si atoms Cubic Cell
#
# Enter RMG directory.
#
# RMG: generate k-points (directory 00)
# RMG: you must manually add the k-points to RMG input files
RMG: sh ./script_0
#
# create symbolic links
#
sh ./script_1
#
# generate charge density (directory 01)
# run nscf calculations (directories 02 to 06)
#
RMG: Submit script_2. Suggested ncpu = 24, walltime = 0:30:00
#
# cd ..
#
# generate dielectric matrix (directory 07)
# calculate self-energy corrections (directory 08)
# generate electron-hole interaction kernel (directory 09)
# solve BSE and calculate optical absorption (directory 10)
#
Submit script_3. Suggested ncpu = 48, walltime = 0:30:00
#
Source: README, updated 2014-11-19