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Home / Releases / 1.1 / Examples / RMG2BGW_examples / cnt_8-0 / RMG
Name Modified Size InfoDownloads / Week
Parent folder
0-kgrid 2015-03-12
0
1-quench 2015-03-12
0
3-wfnq 2015-03-12
0
2-wfn 2015-03-12
0
4-wfn_fi 2015-03-12
0
script_0 2015-03-12 183 Bytes
0
script_1 2015-03-12 747 Bytes
0
script_2 2015-03-12 226 Bytes
0
Totals: 8 Items   1.2 kB 0 
# (8,0) semiconducting SWCNT
#
# Enter RMG directory.
#
# RMG: generate k-points (directory 0); you must manually add the k-points to RMG input files
RMG: sh ./script_0
#
# create symbolic links
#
sh ./script_1
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# generate charge density (directory 1)
# run nscf calculations (directories 2-4)
Submit script_2. Suggested ncpu = 32, walltime = 24:00:00
#
cd ..
#
# generate dielectric matrix (directory 5)
# calculate self-energy corrections (directory 6)
# generate electron-hole interaction kernel (directory 7)
# solve BSE and calculate optical absorption (directory 8)
#
Submit script. Suggested ncpu = 32, walltime = 24:00:00
#
Source: README, updated 2015-03-12