From 6f5255d0f39c826ac23f08c85f1a006c39a0118b Mon Sep 17 00:00:00 2001
From: Pranab Das <31024886+pranabdas@users.noreply.github.com>
Date: Sat, 17 Jun 2023 04:49:34 +0000
Subject: [PATCH] adjust file paths

---
 docs/hands-on/wannier.mdx     | 14 +++++++-------
 src/silicon/pw.scf.silicon.in |  4 ++--
 2 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/docs/hands-on/wannier.mdx b/docs/hands-on/wannier.mdx
index 309ce413..439f9344 100644
--- 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
 ```
@@ -15,7 +15,7 @@ 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
@@ -23,34 +23,34 @@ ${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
index 1e0eb88c..105ca178 100644
--- 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'