update to fix bugs in 03_NAO_multik

Author: mohanchen

tests/02_NAO_Gamma/015_NO_GO_get_pchg/INPUT

@@ -1,5 +1,6 @@
 INPUT_PARAMETERS
 basis_type		lcao 	
+nspin           1
 gamma_only		1
 calculation     get_pchg
 
@@ -15,4 +16,4 @@ read_file_dir 	./
 pseudo_dir	    ../../PP_ORB
 orbital_dir	    ../../PP_ORB
 
-out_pchg        4*1
+out_pchg        4*1

tests/03_NAO_multik/39_NO_OP_nscf/pot.cube.ref

@@ -1,4 +1,4 @@
-STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
+STEP: -1  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 
 2 0.0 0.0 0.0 
 12 0.000000 0.425000 0.425000

tests/03_NAO_multik/44_NO_KP_MD_OW/INPUT

@@ -26,7 +26,7 @@ mixing_beta     0.7
 mixing_gg0      0.0
 
 out_wfc_lcao	1
-out_interval	2
+out_freq_ion	2
 out_app_flag	0
 
 md_type          nve

tests/integrate/tools/catch_properties.sh

@@ -205,8 +205,8 @@ fi
 # echo $get_s
 #-------------------------------
 if ! test -z "$get_s"  && [  $get_s == "get_s" ]; then
-	sref=sr_nao.csr.ref
-	scal=OUT.autotest/sr_nao.csr
+	sref=srs1_nao.csr.ref
+	scal=OUT.autotest/srs1_nao.csr
 	python3 $COMPARE_SCRIPT $sref $scal 8
 	echo "CompareS_pass $?" >>$1
 fi
@@ -337,7 +337,7 @@ fi
 if ! test -z "$has_hs2"  && [  $has_hs2 == 1 ]; then
     #python3 $COMPARE_SCRIPT hrs1_nao.csr.ref OUT.autotest/hrs1_nao.csr 8
     #echo "CompareHR_pass $?" >>$1
-    python3 $COMPARE_SCRIPT sr_nao.csr.ref OUT.autotest/sr_nao.csr 8
+    python3 $COMPARE_SCRIPT srs1_nao.csr.ref OUT.autotest/srs1_nao.csr 8
     echo "CompareSR_pass $?" >>$1
 fi
 
@@ -355,7 +355,7 @@ fi
 #-----------------------------------
 #echo $has_mat_t
 if ! test -z "$has_mat_t"  && [  $has_mat_t == 1 ]; then
-    python3 $COMPARE_SCRIPT tr_nao.csr.ref OUT.autotest/tr_nao.csr 8
+    python3 $COMPARE_SCRIPT trs1_nao.csr.ref OUT.autotest/trs1_nao.csr 8
     echo "ComparerTR_pass $?" >>$1
 fi