Merge pull request #37 from pranabdas/20241019

add netlify configs + other misc updates
pranabdas · Oct 19, 2024 · 6ddb9a6 · 6ddb9a6
2 parents 54ea586 + c852a5c
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diff --git a/docs/hands-on/Bi2Se3.md b/docs/hands-on/Bi2Se3.md
@@ -44,10 +44,7 @@ spin-orbit calculation without spin magnetization. It assumes that time reversal
 symmetry holds and it does not calculate the magnetization. The states are
 still two-component spinors but the total magnetization is zero.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/Bi2Se3-bands.webp").default} />
-  <img src={require("/img/Bi2Se3-bands.png").default} alt="Bi2Se3-bands" />
-</picture>
+![Bi2Se3-bands](../../static/img/Bi2Se3-bands.webp)
 
 Notice that for the Dirac surface states the gap did not completely close at the
 Fermi energy. This is possibly due to finite size effect. We could repeat the
@@ -58,10 +55,7 @@ In order to sample the $\Gamma$ point for our DOS calculation, an odd k-grid
 mesh (25✕25✕5) was used. The signature of Dirac cone is evident from the DOS
 figure.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/Bi2Se3-dos.webp").default} />
-  <img src={require("/img/Bi2Se3-dos.png").default} alt="Bi2Se3-dos" />
-</picture>
+![Bi2Se3-dos](../../static/img/Bi2Se3-dos.webp)
 
 ## Resources
 - [https://docs.quantumatk.com/tutorials/topological_insulator_bi2se3/](

diff --git a/docs/hands-on/GaAs.md b/docs/hands-on/GaAs.md
@@ -38,10 +38,7 @@ bands.x < pp.bands.GaAs.in > pp.bands.GaAs.out
 ```
 If everything goes well, you will get the bandstructure as below:
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/GaAs-bands.webp").default} />
-  <img src={require("/img/GaAs-bands.png").default} alt="GaAs-bands" />
-</picture>
+![GaAs-bands](../../static/img/GaAs-bands.webp)
 
 :::caution Warning
 

diff --git a/docs/hands-on/aluminum.mdx b/docs/hands-on/aluminum.mdx
@@ -66,10 +66,7 @@ dos.x < al_dos.in > al_dos.out
 Note from our `al_nscf.out` that our Fermi energy is at 7.9421 eV. We plot our
 density of states:
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/al-dos.webp").default} />
-  <img src={require("/img/al-dos.png").default} alt="al-dos" />
-</picture>
+![al-dos](../../static/img/al-dos.webp)
 
 ## Bandstructure calculation
 
@@ -96,10 +93,7 @@ bands.x < al_bands_pp.in > al_bands_pp.out
 ```
 We obtain the following bandstructure:
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/al-bands.webp").default} />
-  <img src={require("/img/al-bands.png").default} alt="al-bands" />
-</picture>
+![al-bands](../../static/img/al-bands.webp)
 
 ## Importance of smearing in convergence
 
@@ -121,10 +115,7 @@ Marzari-Vanderbilt), and for various smearing values.
 pwtk al.degauss.pwtk
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/al-smearing.webp").default} />
-  <img src={require("/img/al-smearing.png").default} alt="al-smearing" />
-</picture>
+![al-smearing](../../static/img/al-smearing.webp)
 
 We see that the `m-v` and `m-p` broadening allow for faster and smother
 convergence while depending less on `degauss` value than Gaussian broadening.

diff --git a/docs/hands-on/bands.mdx b/docs/hands-on/bands.mdx
@@ -118,10 +118,7 @@ plt.text(2.3, 5.6, 'Fermi energy', fontsize= small)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/silicon-bands.webp").default} />
-  <img src={require("/img/silicon-bands.png").default} alt="silicon-bands" />
-</picture>
+![silicon-bands](../../static/img/silicon-bands.webp)
 
 :::info
 

diff --git a/docs/hands-on/convergence.mdx b/docs/hands-on/convergence.mdx
@@ -41,10 +41,7 @@ plt.legend(frameon=False)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/etot-vs-ecutwfc.webp").default} />
-  <img src={require("/img/etot-vs-ecutwfc.png").default} alt="etot-vs-ecutwfc" />
-</picture>
+![etot-vs-ecutwfc](../../static/img/etot-vs-ecutwfc.webp)
 
 ## Convergence test using UNIX shell script
 
@@ -109,10 +106,7 @@ plt.legend(frameon=False)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/etot-vs-kpoints.webp").default} />
-  <img src={require("/img/etot-vs-kpoints.png").default} alt="etot-vs-kpoints" />
-</picture>
+![etot-vs-kpoints](../../static/img/etot-vs-kpoints.webp)
 
 ## Convergence against lattice constant
 
@@ -137,10 +131,7 @@ plt.legend(frameon=False)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/etot-vs-alat.webp").default} />
-  <img src={require("/img/etot-vs-alat.png").default} alt="etot-vs-alat" />
-</picture>
+![etot-vs-alat](../../static/img/etot-vs-alat.webp)
 
 
 ## Note on CPU time

diff --git a/docs/hands-on/dft-u.mdx b/docs/hands-on/dft-u.mdx
@@ -86,10 +86,7 @@ pw.x -in feo_nscf.in > feo_nscf.out
 projwfc.x -in feo_projwfc.in > feo_projwfc.out
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/feo-pdos-dft.webp").default} />
-  <img src={require("/img/feo-pdos-dft.png").default} alt="feo-pdos-dft" />
-</picture>
+![feo-pdos-dft](../../static/img/feo-pdos-dft.webp)
 
 This gives us metallic density of states. In practice we get insulating FeO.
 
@@ -147,10 +144,7 @@ Hubbard_U(2) = 4.6
 We repeat the above calculation and plot the results. Now we find insulating
 ground state.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/feo-pdos-dft-u.webp").default} />
-  <img src={require("/img/feo-pdos-dft-u.png").default} alt="feo-pdos-dft-u" />
-</picture>
+![feo-pdos-dft-u](../../static/img/feo-pdos-dft-u.webp)
 
 :::info
 

diff --git a/docs/hands-on/dos.mdx b/docs/hands-on/dos.mdx
@@ -89,10 +89,7 @@ plt.text(6, 1.7, 'Fermi energy', fontsize= med, rotation=90)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/silicon-dos.webp").default} />
-  <img src={require("/img/silicon-dos.png").default} alt="silicon-dos" />
-</picture>
+![silicon-dos](../../static/img/silicon-dos.webp)
 
 :::info Important
 

diff --git a/docs/hands-on/epsilon.mdx b/docs/hands-on/epsilon.mdx
@@ -74,10 +74,7 @@ plt.legend(frameon=False)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/silicon-epsilon.webp").default} />
-  <img src={require("/img/silicon-epsilon.png").default} alt="silicon-epsilon" />
-</picture>
+![silicon-epsilon](../../static/img/silicon-epsilon.webp)
 
 :::warning
 

diff --git a/docs/hands-on/fe.mdx b/docs/hands-on/fe.mdx
@@ -68,10 +68,7 @@ Run the script:
 pwtk fe_ecut.pwtk
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fe-convergence.webp").default} />
-  <img src={require("/img/fe-convergence.png").default} alt="fe-convergence" />
-</picture>
+![fe-convergence](../../static/img/fe-convergence.webp)
 
 ## Density of states calculation
 
@@ -83,15 +80,9 @@ import fe_dos_pwtk from '!!raw-loader!/src/fe/fe_dos.pwtk';
 
 Below is the plots of total and projected density of states.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fe-dos.webp").default} />
-  <img src={require("/img/fe-dos.png").default} alt="fe-dos" />
-</picture>
+![fe-dos](../../static/img/fe-dos.webp)
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fe-pdos.webp").default} />
-  <img src={require("/img/fe-pdos.png").default} alt="fe-pdos" />
-</picture>
+![fe-pdos](../../static/img/fe-pdos.webp)
 
 Also see bandstructure of Fe with and without [SOC](
 soc#bandstructure-of-fe-with-soc).
@@ -123,7 +114,4 @@ Open the file from XCrySDen Menu: **File → Open Structure → Open XSF**. Then
 to **Display** menu and select **Forces**. If you want to adjust scaling for the
 force vectors, go to **Modify → Force Settings** and set suitable Length factor.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fe-magnetic-structure.webp").default} />
-  <img src={require("/img/fe-magnetic-structure.png").default} alt="fe-magnetic-structure" width="450px" />
-</picture>
+![fe-magnetic-structure](../../static/img/fe-magnetic-structure.webp)
diff --git a/docs/hands-on/fermi-surface.mdx b/docs/hands-on/fermi-surface.mdx
@@ -41,7 +41,4 @@ We can visualize the output file `cu_fs.bxsf` using xcrysdens program:
 xcrysden --bxsf cu_fs.bxsf
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fs-cu.webp").default} />
-  <img src={require("/img/fs-cu.png").default} alt="Fermi-surface-copper" />
-</picture>
+![Fermi-surface-copper](../../static/img/fs-cu.webp)
diff --git a/docs/hands-on/graphene.md b/docs/hands-on/graphene.md
@@ -26,10 +26,7 @@ pw.x -i graphene_nscf.in > graphene_nscf.out
 dos.x -i graphene_dos.in > graphene_dos.out
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/graphene-dos.webp").default} />
-  <img src={require("/img/graphene-dos.png").default} alt="graphene-dos" />
-</picture>
+![graphene-dos](../../static/img/graphene-dos.webp)
 
 ## Bandstructure calculation
 
@@ -68,7 +65,4 @@ plt.ylabel("Energy (eV)")
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/graphene-bands.webp").default} />
-  <img src={require("/img/graphene-bands.png").default} alt="graphene-bands" />
-</picture>
+![graphene-bands](../../static/img/graphene-bands.webp)
diff --git a/docs/hands-on/kpdos.mdx b/docs/hands-on/kpdos.mdx
@@ -70,10 +70,7 @@ plt.axvline(61, c='yellow', lw=1, alpha=0.5)
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/silicon-kpdos.webp").default} />
-  <img src={require("/img/silicon-kpdos.png").default} alt="silicon-kpdos" />
-</picture>
+![silicon-kpdos](../../static/img/silicon-kpdos.webp)
 
 :::info
 

diff --git a/docs/hands-on/ni.mdx b/docs/hands-on/ni.mdx
@@ -32,8 +32,4 @@ mpirun -np 8 bands.x -i bands_ni_up.in > bands_ni_up.out
 
 Similarly, we process the spin down bands `spin_component=2` and plot them.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/ni-spin-bands.webp").default} />
-  <img src={require("/img/ni-spin-bands.png").default} alt="ni-spin-bands" />
-</picture>
-
+![ni-spin-bands](../../static/img/ni-spin-bands.webp)
diff --git a/docs/hands-on/pdos.mdx b/docs/hands-on/pdos.mdx
@@ -100,10 +100,7 @@ plt.show()
 
 Here is how our projected density of states plot looks like:
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/al-pdos.webp").default} />
-  <img src={require("/img/al-pdos.png").default} alt="al-pdos" />
-</picture>
+![al-pdos](../../static/img/al-pdos.webp)
 
 We can perform sums of specific atom or orbital contributions using
 **sumpdos.x** code if there are multiple $s$ or $p$ orbitals:

diff --git a/docs/hands-on/phonon.mdx b/docs/hands-on/phonon.mdx
@@ -104,10 +104,7 @@ plt.ylim(0, )
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/GaAs-phonon.webp").default} />
-  <img src={require("/img/GaAs-phonon.png").default} alt="GaAs-phonon" width="600px" />
-</picture>
+![GaAs-phonon](../../static/img/GaAs-phonon.webp)
 
 :::tip
 
@@ -139,10 +136,7 @@ plt.xlim(freq[0], freq[-1])
 plt.show()
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/GaAs-phonon-dos.webp").default} />
-  <img src={require("/img/GaAs-phonon-dos.png").default} alt="GaAs-phonon-dos" width="600px" />
-</picture>
+![GaAs-phonon-dos](../../static/img/GaAs-phonon-dos.webp)
 
 ## Resources
 

diff --git a/docs/hands-on/soc.mdx b/docs/hands-on/soc.mdx
@@ -139,10 +139,7 @@ the file `fe.noncolin.data.3`. All values in this case are either +1/2 or -1/2.
 mpirun -np 8 bands.x -i pp.bands.fe_soc.in > pp.bands.fe_soc.out
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/fe-soc-bands.webp").default} />
-  <img src={require("/img/fe-soc-bands.png").default} alt="fe-soc-bands" />
-</picture>
+![fe-soc-bands](../../static/img/fe-soc-bands.webp)
 
 ## SOC calculation for GaAs
 
@@ -155,7 +152,4 @@ mpirun -np 8 pw.x -i pw.bands.GaAs_soc.in > pw.bands.GaAs_soc.out
 mpirun -np 8 bands.x -i pp.bands.GaAs_soc.in > pp.bands.GaAs_soc.out
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/GaAs-soc-bands.webp").default} />
-  <img src={require("/img/GaAs-soc-bands.png").default} alt="GaAs-soc-bands" />
-</picture>
+![GaAs-soc-bands](../../static/img/GaAs-soc-bands.webp)
diff --git a/docs/hands-on/wannier.mdx b/docs/hands-on/wannier.mdx
@@ -54,10 +54,7 @@ wan.silicon.out
 mpirun -np 4 ${WANNIER_PATH}/wannier90.x silicon
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/silicon-wannier-bands.webp").default} />
-  <img src={require("/img/silicon-wannier-bands.png").default} alt="silicon-wannier-bands" />
-</picture>
+![silicon-wannier-bands](../../static/img/silicon-wannier-bands.webp)
 
 ## Resources
 

diff --git a/docs/setup/hpc.mdx b/docs/setup/hpc.mdx
@@ -189,10 +189,7 @@ For my case, the link line was:
 -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl
 ```
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/intel-link-line-adviser.webp").default} />
-  <img src={require("/img/intel-link-line-adviser.png").default} alt="intel-link-line-adviser" width="600px" />
-</picture>
+<img src={require("../../static/img/intel-link-line-adviser.webp").default} alt="intel-link-line-adviser" width="600px" />
 
 We need to insert the link for `BLAS_LIBS`, `LAPACK_LIBS`, and `SCALAPACK_LIBS`.
 We also need to find out where is the FFTW lib located. In NUS HPC, we can use

diff --git a/docs/theory/dft.md b/docs/theory/dft.md
@@ -154,10 +154,8 @@ potential for the nuclear potential. In turn, we have the Hamiltonian. Solve for
 $\psi_i(\textbf{r})$, subsequently $n(\textbf{r})$, and iterate until self
 consistency is achieved.
 
-<picture>
-  <source type="image/webp" srcSet={require("/img/self-consistent-solution.webp").default} />
-  <img src={require("/img/self-consistent-solution.png").default} alt="self-consistent-solution" />
-</picture>
+![self-consistent-solution](../../static/img/self-consistent-solution.webp)
+
 <p className="fig-caption">Self consistency loop in DFT calculation. The above screenshot was taken from lecture slide of Professor Ralph Gevauer from <a href="http://indico.ictp.it/event/9616/other-view?view=ictptimetable"> ICTP MAX School 2021</a>.</p>
 
 The potential due to the ions is replaced by the pseudo potentials which removes

diff --git a/netlify.toml b/netlify.toml
@@ -0,0 +1,6 @@
+[build]
+  command = "bash scripts/netlify-build.sh"
+  publish = "build/"
+
+[build.environment]
+  NODE_VERSION = "20"