Commit a89cf6e1 authored by Gustav Bihlmayer's avatar Gustav Bihlmayer

Update symmetries.md (subscripts)

parent afa65c76
#Examples by Lattice
#CrInp
#Cr Inp
```
bcc Cr
......@@ -17,7 +17,7 @@ bcc Cr
&comp kmax=5.2 gmaxxc=12.5 gmax=15.0 /
&kpt div1=24 div2=24 div3=24 tkb=0.0005 /
```
#AgInp
#Ag Inp
```
fcc silver
......@@ -32,7 +32,7 @@ fcc silver
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&kpt div1=25 div2=25 div3=25 tkb=0.0005 /
```
#FeInp
#Fe Inp
```
bcc Fe
......@@ -47,7 +47,7 @@ bcc Fe
&comp kmax=5.2 gmaxxc=12.5 gmax=15.0 /
&kpt div1=27 div2=27 div3=27 tkb=0.0005 /
```
#MnInp
#Mn Inp
```
tet manganese
......@@ -64,7 +64,7 @@ tet manganese
&comp kmax=5.2 gmaxxc=13.0 gmax=15.5 /
&kpt div1=28 div2=28 div3=20 tkb=0.0005 /
```
#InInp
#In Inp
```
bct In
......@@ -79,7 +79,7 @@ bct In
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&kpt div1=17 div2=17 div3=13 tkb=0.0005 /
```
#BrInp
#Br Inp
```
Bromium(o)
......@@ -97,7 +97,7 @@ Bromium(o)
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&kpt div1= 4 div2= 8 div3= 4 tkb=0.0005 /
```
#HBrInp
#HBr Inp
```
HBr oF (ICSD # 28842)
......@@ -122,7 +122,7 @@ HBr oF (ICSD # 28842)
0 1 0 0.0
0 0 -1 0.0 / ! we leave out the centering translation
```
#HgOInp
#HgO Inp
```
HgO from ICSD database (http://icsd.fiz-karlsruhe.de/) #16627
......@@ -148,7 +148,7 @@ HgO from ICSD database (http://icsd.fiz-karlsruhe.de/) #16627
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&exco xctyp="pz" /
```
#Ta2HInp
#Ta<sub>2</sub>H Inp
```
Ta2D from ICSD database (http://icsd.fiz-karlsruhe.de/) #61486
......@@ -173,7 +173,7 @@ Ta2D from ICSD database (http://icsd.fiz-karlsruhe.de/) #61486
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&exco xctyp="pz" /
```
#Ta2HBInp
#Ta<sub>2</sub>H B Inp
```
Ta2D from ICSD database #61486 but with oB setting
......@@ -198,7 +198,7 @@ Ta2D from ICSD database #61486 but with oB setting
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&exco xctyp="pz" /
```
#Ta2HCInp
#Ta<sub>2</sub>H C Inp
```
Ta2D from ICSD database #61486 but with oC setting
......@@ -223,7 +223,7 @@ Ta2D from ICSD database #61486 but with oC setting
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&exco xctyp="pz" /
```
#PdP2PInp
#PdP<sub>2</sub> P Inp
```
PdP2 (mP) from ICSD database # 48163 (conventional unit cell with all atoms)
......@@ -249,7 +249,7 @@ PdP2 (mP) from ICSD database # 48163 (conventional unit cell with all atoms)
15 0.1651 -.6886 0.6237
15 -.1651 0.6886 -.6237
```
#PdP2IInp
#PdP<sub>2</sub> I Inp
```
PdP2 (mI) from ICSD database # 48163 (published data)
......@@ -274,7 +274,7 @@ PdP2 (mI) from ICSD database # 48163 (published data)
0 -1 0 0.0
0 0 -1 0.0 / ! inversion
```
#PdP2AInp
#PdP<sub>2</sub> A Inp
```
PdP2 (mA) from ICSD database # 48163 (standardized data)
......@@ -299,7 +299,7 @@ PdP2 (mA) from ICSD database # 48163 (standardized data)
0 -1 0 0.5
0 0 -1 0.5 / ! inversion
```
#PdP2BInp
#PdP<sub>2</sub> B Inp
```
PdP2 (mB) from ICSD database # 48163 (standardized data)
......@@ -324,7 +324,7 @@ PdP2 (mB) from ICSD database # 48163 (standardized data)
0 -1 0 0.0
0 0 -1 0.5 / ! inversion
```
#Binp
#B inp
```
B (tricl) (APW+lo used for actual calculation)
......@@ -350,7 +350,7 @@ B (tricl) (APW+lo used for actual calculation)
&comp kmax=4.5 gmaxxc=12.0 gmax=13.5 /
&kpt div1=10 div2= 10 div3= 6 tkb=0.0005 /
```
#Cinp
#C inp
```
grahite C (APW+lo used for actual calculation)
......@@ -369,7 +369,7 @@ grahite C (APW+lo used for actual calculation)
&comp kmax=5.2 gmaxxc=13.0 gmax=15.5 /
&kpt div1=16 div2=16 div3= 6 tkb=0.0005 /
```
#AsInp
#As Inp
```
As
......@@ -385,7 +385,7 @@ As
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&kpt div1=13 div2=13 div3=13 tkb=0.0005 /
```
#S6Inp
#S<sub>6</sub> Inp
```
S6 (ICSD # 40021)
......
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