Add test/siatom test of custom occupation numbers

test/siatom/Makefile

+include ../Makefile.inc
+all: test.r
+clean:
+	rm -f test.r test.xml
+
+test.r: test.i
+	$(QBOX_CMD) $^ > $@

test/siatom/Si_VBC_LDA-1.0.xml

+../potentials/Si_VBC_LDA-1.0.xml
\ No newline at end of file

test/siatom/sample.xsd

+../../xml/sample.xsd
\ No newline at end of file

test/siatom/species.xsd

+../../xml/species.xsd
\ No newline at end of file

test/siatom/test.i

+# Si atom with custom occupation numbers
+set cell 16 0 0  0 16 0  0 0 16
+species silicon Si_VBC_LDA-1.0.xml
+atom Si silicon  0 0 0
+set ecut 6
+set nempty 2
+set occ 2 0.666666666
+set occ 3 0.666666666
+set occ 4 0.666666666
+randomize_wf
+set wf_dyn JD
+run 0 30 10
+save test.xml