Example: move sdft to stochastic (#208)

* example: move sdft to stochastic (#1365)

Co-authored-by: hongriTianqi <[email protected]>

Author: dyzheng

examples/stochastic/README

@@ -0,0 +1,48 @@
+/*******************************************************************************/
+/
+/ These are the examples of ABACUS program.
+/
+/*******************************************************************************/
+
+These are the simpleset example of SDFT
+
+- pw_Si2:
+ 
+Using mix stochastic-deterministic DFT (MDFT) to calculate the total 
+energy of Silicon(diamond) at the temperature of 0.6 Ry.
+
+Note:
+(1) Three input files are required in this calculation: 
+INPUT(control parameters)
+STRU(structures) 
+KPT(k points, here we use 8 points with symmetry open)
+
+(2) This is a self-consistent calculations (default) with plane wave basis (default).
+(3) The pseudopotential file is also needed, which appears in STRU file.
+
+Run the program(if permitted, otherwise please use a script to submit the job)
+$ABACUS-path/ABACUS.fp_mpi-v1.0.1
+
+Finish! Then you can see running_scf.log in OUT.ABACUS.
+If you are not familiar with the parameters in INPUT, 
+please check in OUT.ABACUS/INPUT.
+
+- pw_md_Al:
+
+Using stochastic DFT to simulate 16-atom 2.7 g/cc Aluminum at the temperature of 100 eV.
+
+Note:
+(1) Three input files are required in this calculation: 
+INPUT(control parameters)
+STRU(structures) 
+KPT(k points, here we use Gamma point.)
+
+(2) This is a molecular-dynamics calculations (default) with plane wave basis (default).
+(3) The pseudopotential file is also needed, which appears in STRU file.
+
+Run the program(if permitted, otherwise please use a script to submit the job)
+$ABACUS-path/ABACUS.fp_mpi-v1.0.1
+
+Finish! Then you can see running_scf.log in OUT.ABACUS.
+If you are not familiar with the parameters in INPUT, 
+please check in OUT.ABACUS/INPUT.

examples/sdft/pw_Si2/INPUT renamed to examples/stochastic/pw_Si2/INPUT

@@ -0,0 +1,7 @@
+#!/bin/bash
+
+ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
+ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
+ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
+
+OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output