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--- exercise:tio2_gap [2014/04/10 15:27] – [TiO$_2$ Band Gap as a function of %hfx] oschuett
+++ exercise:tio2_gap [2014/04/10 15:36] – [Basis Set] oschuett
@@ Line 24: / Line 24: @@
 ===== Required files =====
-  * file with truncation parameters: {{:exercise:t_c_g.dat.gz|}}
+==== Parameters for Truncated Coulomb Potential ====
-  * Restart wave-function, useful to speed up calculations: {{:exercise:tio2_pbe-restart.wfn.gz|}}
+{{:exercise:t_c_g.dat.gz| Download here}}
+==== Restart wave-function ====
+ This is useful to speed up the calculation
+ {{:exercise:tio2_pbe-restart.wfn.gz| Download here}}
 <note> These files are compressed with gzip. To unpack them run:
@@ Line 33: / Line 37: @@
 </note>
-  * input file
+==== Input File ====
 <code - anatase_25hfx.inp>
@@ Line 125: / Line 129: @@
 </code>
+==== Basis Set ====
-  * basis set
+<code - BASIS_TiO>
-<code - BASIS_TiO >
 # O
@@ Line 173: / Line 176: @@
 </code>
-  * potential
+==== Pseudo-Potential ====
 <code - POTENTIALS_TiO>
 #
@@ Line 195: / Line 198: @@
 </code>
-  * anatase *.cif file (crystallographic information file = anatse crystal structure)
+==== Anatse Crystal Structure ====
+''.cif'' = crystallographic information file
-<code - tio.cif >
+<code - tio.cif>
 #======================================================================