Installing Quantum ESPRESSO on Windows in Parallel [TUTORIAL]

Опубликовано: 14 Апрель 2026
на канале: Phys Whiz

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In this video I show you guys how to run Quantum ESPRESSO (QE) on Windows specifically, Windows 10 and Intel i7 in parallel configuration.

Relevant links used in video:
1. QE Home Page: https://www.quantum-espresso.org/

2. QE Download Page: https://www.quantum-espresso.org/down...

3. Windows Binary of QE from AdvanceSoftware.Corp:
https://github.com/advancesoftcorp/es...

4. Sample SCF Input file used in the tutorial (Save it as scf.in):
&CONTROL
calculation = "scf"
max_seconds = 8.64000e+04
!In the next line provide the address to your own Pseudopotential file
pseudo_dir = "C:/Users/manas/.burai/.pseudopot"
tprnfor = .TRUE.
tstress = .TRUE.
/

&SYSTEM
a = 2.7800e+00
degauss = 1.00000e-02
ecutrho = 4.00000e+02
ecutwfc = 4.00000e+01
ibrav = 1
nat = 2
nspin = 2
ntyp = 1
occupations = "smearing"
smearing = "gaussian"
starting_magnetization(1) = 2.00000e-01
/

&ELECTRONS
conv_thr = 1.00000e-06
electron_maxstep = 200
mixing_beta = 4.00000e-01
startingpot = "atomic"
startingwfc = "atomic+random"
/

K_POINTS {automatic}
6 6 6 0 0 0

ATOMIC_SPECIES
Fe 55.84500 Fe.pbe-nd-rrkjus.UPF

ATOMIC_POSITIONS {crystal}
Fe 0.000000 0.000000 0.000000
Fe 0.499999 0.499999 0.499999

Thanks for watching!

I'm Manas Sharma a Physics student working in the field of Computational Condensed Matter Physics.