diff --git a/docs/mkdocs/docs/examples/symmetries.md b/docs/mkdocs/docs/examples/symmetries.md index 0054dfa13aa9c374dd6a4da545377f1a5c7bbc99..d70257b56f8f445e9ae344151231f91840aec473 100644 --- a/docs/mkdocs/docs/examples/symmetries.md +++ b/docs/mkdocs/docs/examples/symmetries.md @@ -1,6 +1,6 @@ #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 +#Ta2H 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 +#Ta2H 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 +#Ta2H 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 +#PdP2 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 +#PdP2 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 +#PdP2 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 +#PdP2 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 +#S6 Inp ``` S6 (ICSD # 40021)