����

acog

3.2.4

Altix

7.5

Altix3700

7.3

amprc

2.1

ampre

2.1

amprp

2.1

application

1.1.3 | 1.1.3 | 1.2.9

atp0.in

4.1.1

atpdesign.sh

1.3.32 | 6.1.20

atprot.sh

1.3.35

atpsl.sh

1.3.33

atptr.sh

1.3.34

B-Shell

1.1

BACKGROUND CHARGE

5.4

bchg.xsf

6.1.17

build.sh

6.4

CELLDM

3.1

celldm0

1.4.1

cgsoft

1.3.25

chiralindexm

1.3.32

chiralindexn

1.3.32

chkt.in

4.1.1

cleanall

1.1.2

cleanOBJALL

1.1.2

cmass

2.1

CNT

1.3.32

compress-result.sh

6.4

compress-shset.sh

6.4

compress.sh

6.4

cpv05.in

2.1

cpv10.in

5.2

cpvo.sh

1.1.1 | 1.3.1

cpvop-gpu.x

1.1

cpvop-omp-gpu.x

1.1

cpvop-omp.x

1.1

cpvop.x

1.1 | 1.1

cpvos-omp.x

1.1

cpvos.x

1.1 | 1.1

CPVO�R�[�h

1.1

crystallatticeconstant

1.3.32

crystaltype

1.3.32

CVIEW(I)

1.3.25

d1step

1.3.29

d2step

1.3.29

decompress.sh

6.4

delta

2.1

dirname

1.1.4

DUAL

3.2.3

e0g

3.2.6

ECUT

3.2.2

ECUTW

3.2.1

edge

1.3.32

EFERMI

6.2

ekdisp

1.3.11 | 4.1

ekdisp-line

1.4.5

ekdisp.gpl

6.1.5

ekdispef.xy

6.1.5

ekdispfr.xy

6.1.5

ekdispup.xy

6.1.5 | 6.1.5

EKINC

5.1

ekincw

2.1

ekinev0

2.1

ekplotonly

1.3.11

eksurfchg

4.1 | 6.1.5

ELECTROSTATIC ENERGY

6.2

element

1.3.32

elemetal.sh

5.1

elesimple.sh

5.1

emaec

2.1

emass

2.1

EMAXBCHG

1.3.25

EMINBCHG

1.3.25

ENTROPIC ENERGY

6.2

epsekc

2.1

epslam

2.1

ESELF

6.2

ESM

3.4.4 | 10.4

ESR

6.2

ex_bchg.sh

1.3.25 | 6.1.17

ex_bond.sh

1.3.18 | 6.1.10

ex_dos.sh

1.3.9 | 6.1.4

ex_dos1.sh

1.3.10

ex_dval.sh

1.3.30

ex_ecut.sh

1.3.15 | 6.1.8

ex_ecutd.sh

1.3.16

ex_eig.sh

1.3.8

ex_ek.sh

1.3.11 | 6.1.5

ex_ele_dos_ek.sh

1.3.12

ex_fs.sh

1.3.13 | 6.1.6

ex_ksmp.sh

1.3.17 | 6.1.9

ex_lc-bm.sh

1.3.29

ex_lmc.sh

1.3.7 | 6.1.3

ex_md.sh

1.3.24 | 6.1.16

ex_multi-a.sh

1.3.14 | 6.1.7

ex_omega.sh

1.3.28 | 6.1.19

ex_opte.sh

1.3.3 | 6.1.1

ex_opte_more1.sh

1.3.4

ex_opte_more2.sh

1.3.5

ex_optechk.sh

1.3.31

ex_optl.sh

1.3.19 | 6.1.11

ex_optls.sh

1.3.21 | 6.1.13 | 10.2

ex_opts.sh

1.3.23 | 6.1.15

ex_pf.sh

1.3.6 | 6.1.2

ex_pres.sh

1.3.20 | 6.1.12

ex_press.sh

1.3.22 | 6.1.14

ex_spnset_auto.sh

1.3.27

ex_spr.sh

1.3.26 | 6.1.18

EXCHANGE-CORRELATION ENERGY

6.2

exlist.sh

1.1.4 | 1.3.2

exoptl

1.3.19

F(I)

3.5.1

fmnr1.in

4.1.1

fmnr1s.in

4.1.1

fricc

2.1

frice

2.1 | 5.1

frich

2.1

fricp

2.1 | 5.1

gplfile

1.2.7

hmass

2.1

hmdir

1.1.4

IATPFL

3.8.1

IAXIS

3.8.2

IBRAV

3.1

idwsta

2.1

initpj

2.1

INXYZ

1.3.25

IPP

3.9.3

iprank_mpi

2.1

iprint

2.1 | 2.3

iprsta

2.1

IREL

3.7 | 3.7.2 | 12.1

irelchk

2.1

IRELPS(IS)

12.1

IROTSYS

3.8.4

isymfs

2.1 | 3.3.4

IUNIT

3.8.3

IUNITTR

1.3.34 | 1.3.35

iupsta

2.1

JBCHG

1.3.25

jcf.mn_mpi

7.2

jclsym

2.1

JCNST

3.3.5 | 3.9.10

jefsm

2.1

jeprt

2.1

JESM

3.4.4

jhf

2.1

JION

3.4.3

JKPTBCHG

1.3.25

JKSMP

3.3.4

jortho

2.1 | 2.5

JPMGC

3.3.6

JRHOHEX

1.3.25

JRHOZ

1.3.25 | 10.4

JRLTSM

3.1 | 3.1.27 | 3.6.2

JRLWF

3.3.3

JRTRSYM

3.3.4

jshaei

10.5

JTR

1.3.34 | 1.3.35

JTRSYM

3.3.4

jupdw

2.1

JXC

3.7 | 3.7.1

keyword

1.3.32

KINETIC ENERGY

6.2

kpfile

1.2.5

kpt.in

4.1.1

KROT

10.3

lave.ek

10.4

lcbmoption

1.3.29

MAKEFILE

1.1.1 | 1.1.2

master_mpi

2.1

maxit

2.1

mic3

7.7

miccluster

7.8

millerindex

1.3.32

mks0r

9

N

3.4.6

N-L PSEUDOPOTENTIAL ENERGY

6.2

NA

3.9.2

NBAND

1.3.25

nbeg

2.1 | 2.2 | 2.2

nchki

2.1

ndwsta

2.1

neigi

2.1

neigp

2.1

nekmesh

1.3.11

new.sh

4.1

nlcmesh

1.3.29

nomore

2.1

npoly

1.3.29

NSL1

1.3.33

NSP

3.3.1

NSPIN

3.3.2

numberofcell

1.3.32 | 1.3.32

numberofcolumn

1.3.32

numberoflayer

1.3.32

numberofvacuumlayer

1.3.32

NUNOCC

3.4.2

NUP

3.4.8

nupsta

2.1

NZA

3.9.1

pdos-ef

6.1.4

PMASS

3.9.6

ppfile

1.2.4

pplist.in

4.1.1

press

2.1

Primequest

7.6

prjao

6.1.3 | 6.1.4 | 8.1 | 8.1

prjao��������

6.3

PSEUDOPOTENTIAL ENERGY

6.2

QBAC

5.4

qne

2.1

qnev

2.1

qnp

2.1

qnrt

2.1

qntr

2.1

qnvi

2.1

RATS

3.9.7

RATS1

3.9.8

RCMAX

3.9.5

RHOGPLHEX

1.3.25

RLATMX

3.1 | 3.1.27 | 3.6.1

rtime

2.1

RVIEW

1.3.25

RXNN

3.6.3

s0rfile

1.2.6

sample

1.1.3 | 1.2.2

sample.atp.sh

1.4.4

sample.dat.sh

1.4.2

sample.ppf.sh

1.4.3

sample.spg.sh

1.4.6

screen

5.1 | 6.2

shadow

1.3.11 | 10.5

shaei

1.3.11

shfile

1.1.3 | 1.2.3

sigg

3.2.5

source

1.2.1

spg.in

4.1.1

SR11000

7.2

SX7

7.4

taccele

2.1 | 2.13

tauset_opts.sh

10.1

tbchg

2.1

tchk

2.1

tcomset

2.1 | 2.16

tconnamt

2.1

tdos

2.1

teig

2.1

tek

2.1

temppj

2.1

tempw

2.1

teprt

2.1 | 2.11

TETOTI

2.19 | 2.19

tfor

2.1 | 2.7

tfs

2.1

TIME

6.2

timelm

2.1

tlmc

2.1

tmetal

2.1 | 2.10

TNAUTO

3.4.1

tnosee

2.1 | 2.8

TNOSEEP

2.8

tnoseev

2.1

tnosemol

2.1 | 2.9

tnosep

2.1

tnr1r

2.1

tnr1sr

2.1

torbm

2.1

tortho

2.1

TOTAL ENERGY

6.2

tparag

2.1

tparagk

2.1

tparak

2.1

tparao

2.1

tranc

2.1

trane

2.1 | 2.6

tranp

2.1

trhor

2.1

trhow

2.1

trpe

2.1

tspnm

2.1

tspnrot

2.1 | 2.15 | 2.15

tspnset

2.1 | 2.14

tsppt

2.1 | 2.17 | 2.17

tsurf

2.1

ttimelm

2.1 | 2.12

TVIEW

1.3.25

tvlocw

2.1

twfsym

2.1 | 2.18 | 2.18

utillity

1.2.8

wff

1.3.25

wfs.2

5.1

wkdir

1.1.4

XCrySDen

6.1.17

XNEL

3.4.7

zsf1

1.3.11 | 2.1

zsf2

1.3.11 | 2.1

ZV

3.9.4

�A�[���`�F�A�J�[�{���i�m�`���[�u

11.23 | 11.25

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10.3

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5.2

�J�[�{���i�m�`���[�u

1.3.32

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1.3.32

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11.4

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6.2

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6.4

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3.1

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10.1 | 10.2

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11.4

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1.1.2

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11.27

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10.5

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11.1

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10.4

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11.24

�X�s���O���������p

11.10 | 11.11

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3.1.17

���S�����i�q

3.1.13 | 3.1.14

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3.1.5 | 11.8

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11.8

�^���E�� Tl

11.14

�P���O���i�q

3.1.25 | 3.1.26

�P���O���i�q

3.1.7 | 3.1.8 | 3.1.9 | 3.1.10 | 3.1.11

�P�������i�q

3.1.15

�P�������i�q

3.1.12

�P���P���i�q

3.1.20 | 3.1.21

�P�������i�q

3.1.1

�P���Z���i�q

3.1.6

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user-man

�_�C�������h�i�q

11.1

���S�����i�q

3.1.18 | 3.1.19

���S�P���i�q

3.1.22 | 3.1.23 | 3.1.24

�S�N���X�^

11.28

�S���� FePt

11.17

�d������

11.26

�\��

1.3.32

���t�i�q����

11.10

���S�����i�q

3.1.16

���S�����i�q

3.1.2 | 3.1.4 | 11.6

�Z�������i�q

11.5 | 11.7 | 11.14