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What version of WIEN2k did this occur in?<br>
<br>
Perhaps the error<br>
<br>
syntax error near unexpected token `makescratch_lapw'<br>
<br>
is due to the x_lapw script in older WIEN2k versions (such as 13.1
and 14.2) that used to use makescratch_lapw like for example coming
during the running of "x lapw1 -nmr" seen in the post:<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10975.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10975.html</a><br>
<br>
FYI, the WIEN2k updates page [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ] shows that
WIEN2k 17.1 has fixes and improvements to x_nmr and SRC_nmr for nmr
calculations.<br>
<br>
<div class="moz-cite-prefix">On 9/16/2017 6:22 AM, halim said wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1139208222.5384196.1505564545937@mail.yahoo.com">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:13px">
<div id="yui_3_16_0_ym19_1_1505537243572_114640"><span></span></div>
<div class="qtdSeparateBR"
id="yui_3_16_0_ym19_1_1505537243572_114641"><br>
</div>
<div class="yahoo_quoted"
id="yui_3_16_0_ym19_1_1505537243572_112788" style="display:
block;">
<div style="" id="yui_3_16_0_ym19_1_1505537243572_112787">
<div style="" id="yui_3_16_0_ym19_1_1505537243572_112786"><br>
<div class="y_msg_container"
id="yui_3_16_0_ym19_1_1505537243572_112791" style="">
<div id="yiv1027758295" style="">
<div id="yui_3_16_0_ym19_1_1505537243572_112790"
style="">
<div style="background-color: rgb(255, 255, 255);"
id="yui_3_16_0_ym19_1_1505537243572_112789">
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><span
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_17127">Dear Wien2k
users community,</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><span><br
clear="none">
</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><span><br>
</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif; font-size:
13px;"><span
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_17134">I
am facing problem when running NM for
semiconductor, I got these errors for running
and some lines are listed below:</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif; font-size:
13px;"><span><br>
</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif; font-size:
13px;"><span><br>
</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16434"
dir="ltr" style=""><span
id="yui_3_16_0_ym19_1_1505537243572_114813"
style="">
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114810"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><b>x_nmr_lapw
-mode in1</b></div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br
id="yui_3_16_0_ym19_1_1505537243572_114812">
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;">
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134450">:WARNINIG
ATOM= 1 L= 2 HIGH OVERLAP between
radial functions 0.85 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142037">ergy:
0.30</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134452">:WARNINIG
ATOM= 1 L= 2 HIGH OVERLAP between
radial functions 0.70 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142065">ergy:
0.80</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134454">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.99 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142038">ergy:
0.30</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134456">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.99 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142039">ergy:
0.80</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134458">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.98 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142040">ergy:
1.30</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134460">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.96 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142041">ergy:
1.80</span></div>
<div dir="ltr" style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_134462">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.95 setting new lo en<span
style="font-size: 13px;">ergy: 2.30</span></div>
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="">
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136311">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.93 setting new lo en<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_142070">ergy:
2.80</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136313">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.90 setting new lo en<span
style="font-size: 13px;">ergy: 3.30</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136315">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.87 setting new lo en<span
style="font-size: 13px;">ergy: 3.80</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136317">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.84 setting new lo en<span
style="font-size: 13px;">ergy: 4.30</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136319">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.80 setting new lo en<span
style="font-size: 13px;">ergy: 4.80</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136321">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.76 setting new lo en<span
style="font-size: 13px;">ergy: 5.30</span></div>
<div dir="ltr" style="color: rgb(0, 0, 0);
font-family: "times new roman",
"new york", times, serif;
font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_136323">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.72 setting new lo en<span
style="font-size: 13px;">ergy: 5.80</span></div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_136325"
style="">
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139868">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.67 setting new lo en<span
style="font-size: 13px;">ergy: 6.30</span></div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139870">:WARNINIG
ATOM= 2 L= 0 HIGH OVERLAP between
radial functions 0.63 setting new lo en<span
style="font-size: 13px;">ergy: 6.80</span></div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139872"><br
id="yui_3_16_0_ym19_1_1505537243572_139873">
</div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139874"><br
id="yui_3_16_0_ym19_1_1505537243572_139875">
</div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139876">NUMBER
OF RADIAL FUNCTIONS IN case.in1_nmr</div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139877">ATOM
L=0 L=1 L=2 L=3</div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139878">
1 9 9 10 9</div>
<div dir="ltr" style=""
id="yui_3_16_0_ym19_1_1505537243572_139879">
2 10 9 9</div>
</div>
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_114811"
style=""><b>x_nmr_lapw -p</b><br>
</div>
</span></div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;">
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_120112">gn/nmr_q0/./tmpsshc4w1:
line 2: syntax error near unexp<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_121865">ected
token `makescratch_lapw'</span></div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_120112"><span
style="font-size: 13px;"><br>
</span></div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_120112"><span
style="font-size: 13px;"><br>
</span></div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_120112"><span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_123677">
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_123657">gn/nmr_pqx/./tmpsshc4w12:
line 2: syntax error near une<span
style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_123676">xpected
token `makescratch_lapw'</span></div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_123659"><br
id="yui_3_16_0_ym19_1_1505537243572_123660">
</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_123659">
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_132588">gn/nmr_mqz/./tmpsshc4w29:
line 2: syntax error near une<span
style="font-size: 13px;">xpected token
`makescratch_lapw'</span></div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_132590"><br
id="yui_3_16_0_ym19_1_1505537243572_132591">
</div>
</div>
</span></div>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;">
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127238">gn/gn.xim_1</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127239">Image
PC Routine
Line Source </div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127240">nmrc
0000000001510344 Unknown
Unknown Unknown</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127241">nmrc
00000000015361E0 Unknown
Unknown Unknown</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127242">nmrc
000000000049DAF5 sumpara_
38 sumpara.f</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127243">nmrc
0000000000413DA9 MAIN__
35 nmr.f</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127244">nmrc
0000000000400FEE Unknown
Unknown Unknown</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127245">nmrc
00000000015BACC1 Unknown
Unknown Unknown</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127246">nmrc
0000000000400ED1 Unknown
Unknown Unknown</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127247"><br>
</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127249">forrtl:
severe (24): end-of-file during read, unit 54,
file /lustre/scratch/tmp/x_larefa</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127250">/gan/gn/gn.current_int_x</div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127251">Image
PC Routine
Line Source </div>
<div style="font-size: 13px;"
id="yui_3_16_0_ym19_1_1505537243572_127252">nmrc
0000000001510344 Unknown
Unknown Unknown</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_127253">
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129046">nmrc
0000000001531F03 Unknown
Unknown Unknown</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129047">nmrc
00000000004411FB
read_current_int_ 80
read_current_tmp_.F</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129048">nmrc
000000000045E2C3
integrate_current 34
integrate_current_tm</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129049">p_.F</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129050">nmrc
0000000000413E8C MAIN__
44 nmr.f</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129051">nmrc
0000000000400FEE Unknown
Unknown Unknown</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129052">nmrc
00000000015BACC1 Unknown
Unknown Unknown</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129053">nmrc
0000000000400ED1 Unknown
Unknown Unknown</div>
<div dir="ltr"
id="yui_3_16_0_ym19_1_1505537243572_129054"><br
id="yui_3_16_0_ym19_1_1505537243572_129055">
</div>
</div>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16840"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br>
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br
clear="none">
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br
clear="none">
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br
clear="none">
</div>
<div dir="ltr"
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><span
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_18452"
style="font-size:13px;">I would be thankful
for your suggestion and answer to solve the
problem.</span><br
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_18453"
clear="none">
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;"><br
clear="none">
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"
style="color: rgb(0, 0, 0); font-family:
"times new roman", "new
york", times, serif; font-size: 13px;">Looking
forward your answer.</div>
<div class="yiv1027758295yqt6323340243"
id="yiv1027758295yqtfd54452" style="color:
rgb(0, 0, 0); font-family: "times new
roman", "new york", times, serif;
font-size: 13px;">
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849"><br
clear="none">
</div>
<div
id="yiv1027758295yui_3_16_0_ym19_1_1504795236965_16849">Halim
Said</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</body>
</html>