follow filename conventions for bands calculation

Author: pranabdas

docs/hands-on/bands.mdx

@@ -8,14 +8,14 @@ consistent field calculation](scf.mdx). We have our input `scf` file with some
 new parameters:
 
 import CodeBlock from '@theme/CodeBlock';
-import si_bands_scf_in from '!!raw-loader!/src/silicon/si_bands_scf.in';
+import si_bands_scf_in from '!!raw-loader!/src/silicon/pw.scf.silicon_bands.in';
 
-<CodeBlock language="bash" title="src/silicon/si_bands_scf.in" showLineNumbers>{si_bands_scf_in}</CodeBlock>
+<CodeBlock language="bash" title="src/silicon/pw.scf.silicon_bands.in" showLineNumbers>{si_bands_scf_in}</CodeBlock>
 
 Run the `scf` calculation:
 
 ```bash
-pw.x < si_bands_scf.in > si_bands_scf.out
+pw.x < pw.scf.silicon_bands.in > pw.scf.silicon_bands.out
 ```
 
 Next step is our band calculation (non-self consistent field) calculation. The
@@ -33,28 +33,28 @@ also in the unoccupied bands above the Fermi energy. Number of occupied bands
 can be found in the `scf` output as number of Kohn-Sham states. Below is a
 sample input file for the band calculation:
 
-import si_bands_in from '!!raw-loader!/src/silicon/si_bands.in';
+import si_bands_in from '!!raw-loader!/src/silicon/pw.bands.silicon.in';
 
-<CodeBlock language="bash" title="src/silicon/si_bands.in" showLineNumbers>{si_bands_in}</CodeBlock>
+<CodeBlock language="bash" title="src/silicon/pw.bands.silicon.in" showLineNumbers>{si_bands_in}</CodeBlock>
 
 Run `pw.x` with `bands` calculation input file:
 
 ```bash
-pw.x < si_bands.in > si_bands.out
+pw.x < pw.bands.silicon.in > pw.bands.silicon.out
 ```
 
 After the bands calculation is performed, we need some postprocessing using
 `bands.x` utility in order to obtain the data in more usable format. Input file
 for `bands.x` postprocessing:
 
-import si_bands_pp_in from '!!raw-loader!/src/silicon/si_bands_pp.in';
+import si_bands_pp_in from '!!raw-loader!/src/silicon/pp.bands.silicon.in';
 
-<CodeBlock language="bash" title="src/silicon/si_bands_pp.in" showLineNumbers>{si_bands_pp_in}</CodeBlock>
+<CodeBlock language="bash" title="src/silicon/pp.bands.silicon.in" showLineNumbers>{si_bands_pp_in}</CodeBlock>
 
 Run `bands.x` from post processing (PP) module:
 
 ```bash
-bands.x < si_bands_pp.in > si_bands_pp.out
+bands.x < pp.bands.silicon.in > pp.bands.silicon.out
 ```
 
 Finally, we run `plotband.x` to visualize bandstructure. We can either run it

docs/hands-on/dos.mdx

@@ -53,14 +53,14 @@ Now our final step is to calculate the density of states. The DOS input file as
 follows:
 
 import CodeBlock from '@theme/CodeBlock';
-import si_dos_in from '!!raw-loader!/src/silicon/dos.silicon.in';
+import si_dos_in from '!!raw-loader!/src/silicon/pp.dos.silicon.in';
 
-<CodeBlock language="bash" title="src/silicon/dos.silicon.in" showLineNumbers>{si_dos_in}</CodeBlock>
+<CodeBlock language="bash" title="src/silicon/pp.dos.silicon.in" showLineNumbers>{si_dos_in}</CodeBlock>
 
 We run:
 
 ```bash
-dos.x < dos.silicon.in > dos.silicon.out
+dos.x < pp.dos.silicon.in > pp.dos.silicon.out
 ```
 
 The DOS data in the `si_dos.dat` file that we specified in our input file. We

src/silicon/si_bands_pp.in renamed to src/silicon/pp.bands.silicon.in

@@ -3,7 +3,7 @@
   restart_mode = 'from_scratch',
   prefix = 'silicon',
   outdir = './tmp/'
-  pseudo_dir = './pseudos/'
+  pseudo_dir = '../pseudos/'
   verbosity = 'high'
 /
 

src/silicon/dos.silicon.in renamed to src/silicon/pp.dos.silicon.in

@@ -3,7 +3,7 @@
   restart_mode = 'from_scratch',
   prefix = 'silicon',
   outdir = './tmp/'
-  pseudo_dir = './pseudos/'
+  pseudo_dir = '../pseudos/'
   verbosity = 'high'
 /