update 01_PW and 04

Author: mohanchen

tests/01_PW/001_PW_15/README

@@ -24,5 +24,5 @@ smearing_sigma			0.002
 mixing_type		broyden
 mixing_beta		0.7
 
-out_ldos              1
-stm_bias              2
+out_ldos    1
+stm_bias    2

tests/01_PW/001_PW_15/INPUT renamed to tests/01_PW/001_PW_15_ONCV/INPUT

@@ -0,0 +1,3 @@
+1. SG15 ONCV pseudopotential
+2. symmetry=on
+3. test LDOS with 2 eV, output LDOS_2eV.cube

tests/01_PW/001_PW_15/KPT renamed to tests/01_PW/001_PW_15_ONCV/KPT

@@ -1 +1,4 @@
-test SG15 pseudopotential containing f electron with scan, symmetry=on, init_chg=file
+1. SG15 pseudopotential with f electron
+2. SCAN exchange-correlation functional
+3. symmetry=on
+4. init_chg=file

tests/01_PW/001_PW_15/LDOS.cube.ref renamed to tests/01_PW/001_PW_15_ONCV/LDOS.cube.ref

@@ -17,11 +17,11 @@ scf_nmax			100
 basis_type		pw
 
 #Parameters (4.Smearing)
-smearing_method		gauss
-smearing_sigma			0.002
+smearing_method gs	
+smearing_sigma	0.002
 
 #Parameters (5.Mixing)
 mixing_type		broyden
 mixing_beta		0.7
 
-dft_functional pz
+dft_functional  pz

tests/01_PW/001_PW_15_ONCV/README

@@ -1 +1,2 @@
-teset SG15 pseudopotential, symmetry=on, LDA
+1. change the dft functional from readin PBE to pz LDA
+2. Fermi-Dirac smearing