Lines Matching refs:ECHO

8 if test "`echo -e`" = "-e" ; then ECHO=echo ; else ECHO="echo -e" ; fi
10 $ECHO
11 $ECHO "$EXAMPLE_DIR : starting"
12 $ECHO
13 $ECHO "This example tests K-edge X-ray absorption spectra calculation"
14 $ECHO
27 $ECHO
28 $ECHO "  executables directory: $BIN_DIR"
29 $ECHO "  pseudo directory:      $PSEUDO_DIR"
30 $ECHO "  temporary directory:   $TMP_DIR"
31 $ECHO
32 $ECHO "  checking that needed directories and files exist...\c"
37         $ECHO
38         $ECHO "ERROR: $DIR not existent or not a directory"
39         $ECHO "Aborting"
55         $ECHO
56         $ECHO "ERROR: $BIN_DIR/$FILE not existent or not executable"
57         $ECHO "Aborting"
65         $ECHO
66         $ECHO "ERROR: $PSEUDO_DIR/$FILE not existent or not readable"
67         $ECHO "Aborting"
71 $ECHO " done"
78 $ECHO
79 $ECHO "  running pw.x as: $PW_COMMAND"
80 $ECHO "  running xspectra.x as: $X_COMMAND"
81 $ECHO
83 $ECHO
84 $ECHO "WARNING : All these calculations are underconverged"
85 $ECHO "    (These are simple quick tests)  "
86 $ECHO
87 $ECHO
88 $ECHO
91 $ECHO "###########################################"
92 $ECHO "#                  NiO                    #"
93 $ECHO "#  Calculation of K-edge XAS  without     #"
94 $ECHO "#    a core-hole in the final state       #"
95 $ECHO "#                                         #"
96 $ECHO "#   The parameters of this run are not    #"
97 $ECHO "#     converged. To obtain converged      #"
98 $ECHO "#            parameters see :             #"
99 $ECHO "# C. Gougoussis, M.Calandra, A. Seitsonen,#" 
100 $ECHO "#  Ch. Brouder, A. Shukla, F. Mauri       #"
101 $ECHO "#     Phys. Rev. B 79, 045118 (2009)      #"
102 $ECHO "###########################################"
105 $ECHO "  cleaning $TMP_DIR...\c"
107 $ECHO " done"
109 $ECHO "  extracting core wavefunction from pseudo...\c"
111 $ECHO " done"
113 $ECHO "#"
114 $ECHO "# self-consistent calculation for NiO."
115 $ECHO "# Hubbard U is enabled"
116 $ECHO "#"
157 $ECHO "  running pw.x for NiO ...\c"
160 $ECHO " done"
162 $ECHO "#"
163 $ECHO "# xanes calculations"
164 $ECHO "# cutting occupied states " 
165 $ECHO "#"
166 $ECHO "# x-ray absorption spectrum calculation"
167 $ECHO "# dipolar part"
168 $ECHO "#"
201 $ECHO "  running xspectra.x ...\c"
205 $ECHO " done"
207 $ECHO "#"
208 $ECHO "# now we calculate again the cross"
209 $ECHO "# section from the .sav file"
210 $ECHO "# with a different broadening"
211 $ECHO "# without need of performing a new lanczos"
212 $ECHO "#"
246 $ECHO "  running xspectra.x ...\c"
250 $ECHO " done"
252 $ECHO "# "
253 $ECHO "#  quadrupolar part"
254 $ECHO "#"
290 $ECHO "  running xspectra.x ...\c"
294 $ECHO " done"
297 $ECHO "  cleaning $TMP_DIR...\c"
299 $ECHO " done"