Installing Quantum ESPRESSO on Windows in Parallel [TUTORIAL]
Channel: Phys Whiz
Date: 2019-04-24

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/download

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

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.