Add a SLURM-array aware script for DMFT 2D phase diagrams

It reads the array task id via getenv(), and converts the result to double.
If the resulting number is not a NaN (i.e. if the env variable is defined),
it avoid looping over all spin-orbit coupling values and just computes the
line selected by slurm.

The called fixed-SO lines are of 'dry' type, in the runDMFT sense.

KMH-DMFT/KMH-DMFT_mat/DMFT_grid.m

@@ -0,0 +1,45 @@
+driver = 'ed_kane_mele_AFMxy';
+doMPI = true;
+
+% SETUP ARRAY OF SOI VALUES
+spin_orbit = linspace(0,0.3,10);
+Nsoi  = length(spin_orbit);
+
+% GET SLURM ARRAY TASK ID (if undefined would be NaN)
+aID  = str2double(getenv('SLURM_ARRAY_TASK_ID'));
+
+if isnan(aID)
+    % COMPUTE ALL SOI LINES -> 1:Nsoi
+    iSTART = 1;
+    iSTOP  = Nsoi;
+else
+    % COMPUTE SOI(aID) ONLY -> aID:aID
+    iSTART = aID;
+    iSTOP  = aID;
+end
+
+%% SOC-Line: outer loop %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+for iSOI = iSTART:iSTOP
+
+    SOI  = spin_orbit(iSOI);       % Input Spin-Orbit 
+
+    soiDIR= sprintf('SOI=%f',SOI); % Make a folder named 'SOI=...', where '...'
+    mkdir(soiDIR);                 % is the given value for SpinOrb interaction
+    cd(soiDIR);                    % Enter the SOI-folder
+
+    copyfile ../input*             % Copy inside the **external** input file
+
+    %% Phase-Line: inner loop %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+    Uold    = NaN;			% Restart point
+    Umin    = 0.00;         % Phase-line iSTART
+    Ustep   = 0.10;			% Phase-line step
+    Umax    = 10.0;         % Phase-line end
+
+    runDMFT.dry_line(driver,doMPI,Uold,Umin,Ustep,Umax,'t2',SOI,'wmixing',0.25);
+
+    %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+    cd ..                          % Exit the SOI-folder
+
+end