adjust file paths and urls

pranabdas · Jun 17, 2023 · 9d75f99 · 9d75f99
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diff --git a/docs/hands-on/scf.mdx b/docs/hands-on/scf.mdx
@@ -38,7 +38,7 @@ same.
 
 import Mat3raAdmonition from '../../src/apps/mat3ra';
 
-<Mat3raAdmonition url="https://platform.mat3ra.com/pranab/projects/pranab-default/jobs/NwxTtQEqC2ARJGLXA"/>
+<Mat3raAdmonition url="https://platform.mat3ra.com/seminar/projects/seminar-espresso-tutorials/jobs/G8QCRSGig7CCDqaZA" />
 
 import CodeBlock from '@theme/CodeBlock';
 import pw_scf_silicon_in from '!!raw-loader!/src/silicon/pw.scf.silicon.in';

diff --git a/docs/hands-on/wannier.mdx b/docs/hands-on/wannier.mdx
@@ -6,7 +6,7 @@ title: Wannier method
 
 1. Perform `scf` calculation using Quantum Espresso `pw.x`
 
-```console
+```bash
 QE_PATH="/workspaces/q-e-qe-7.2/bin"
 mpirun -np 4 ${QE_PATH}/pw.x -i pw.scf.silicon.in > pw.scf.silicon.out
 ```
@@ -15,42 +15,42 @@ mpirun -np 4 ${QE_PATH}/pw.x -i pw.scf.silicon.in > pw.scf.silicon.out
 to provide explicit list of k-points. Such explicit list of k-points can be
 generated using perl script included in the Wannier package under utility.
 
-```console
+```bash
 WANNIER_PATH="/workspaces/wannier90-3.1.0"
 # directly append the k-points to the input file
 ${WANNIER_PATH}/utility/kmesh.pl 4 4 4 >> pw.nscf.silicon.in
 ```
 
 Run `nscf` calculation:
 
-```console
+```bash
 mpirun -np 4 ${QE_PATH}/pw.x -i pw.nscf.silicon.in > pw.nscf.silicon.out
 ```
 
 3. Prepare input file for wannier90 (`silicon.win`). Here we need the k-points
 list without the weights:
 
-```console
+```bash
 ${WANNIER_PATH}/utility/kmesh.pl 4 4 4 wan
 ```
 
 4. Generate nnkp input:
 
-```console
+```bash
 # we can just provide the seedname or seedname.win
 ${WANNIER_PATH}/wannier90.x -pp silicon
 ```
 
 5. Create input file for `pw2wan`, and generate initial projections:
 
-```console
+```bash
 mpirun -np 4 ${WANNIER_PATH}/pw2wannier90.x -i pw2wan.silicon.in > pw2
 wan.silicon.out
 ```
 
 6. Run wannier calculation:
 
-```console
+```bash
 mpirun -np 4 ${WANNIER_PATH}/wannier90.x silicon
 ```
 

diff --git a/src/silicon/pw.scf.silicon.in b/src/silicon/pw.scf.silicon.in
@@ -6,10 +6,10 @@
   prefix = 'silicon',
 
 ! output directory. Note that it is deprecated.
-  outdir = './tmp/silicon/'
+  outdir = './tmp/'
 
 ! directory for the pseudo potential directory
-  pseudo_dir = './pseudos/'
+  pseudo_dir = '../pseudos/'
 
 ! verbosity high will give more details on the output file
   verbosity = 'high'