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Thumbnail for entry 3.1 Automatic optimization of crystal structure and elastic constants

50:41

3.1 Automatic optimization of crystal structure…

3.1 Automatic optimization of crystal structure and elastic constants

3.1 Automatic optimization of crystal structure and elastic constants

2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 3.3

gnu project software
elastic constants
force
point
calculation
concepts in physics
x.y.z.
dos on ibm pc compatibles
calculation type
cybernetics
copy paste
mathematical terminology
plane wave
caption complete
computer file systems
windows software
matter
writing
input/output
systems
unix common
teaching
bye
c.p.u. number
molecules
systems theory
c.p.u.
largest plane
basically
pretty standard
1st thing
copyright law
working directory
atomic positions
input file
bye bye
output file
entire file
thing
interactive session
pedagogy
chemistry
wave function
microsoft
From  James Overhiser 170 plays
Thumbnail for entry DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

25:29

DFT: Automatic optimization of atomic coordinates…

DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

2018 PARADIM SUMMER SCHOOL Lab 4

state functions
force
electronics terminology
calculation
energy
concepts in physics
meter
symbols
morning lecture
south parameters
caption complete
default values
calculate
convergence threshold
final coordinate
system
teaching
algebra
elementary arithmetic
formation
1st thing
difference
energy difference
change
physical quantities
mathematical terminology
input file
bit longer
iteration
correspond
diamond structure
interactive session
position
elementary mathematics
energy calculation
distance
From  James Overhiser 125 plays