<div style='font-family:Arial; color:#000000; font-size:10px;'><font size="2">Dear Ch. Venkatesh,<br><br>You can see that the error comes from the fort.20 file which is not found by lapw2. So, the first thing you can do is to look in lapw2.def to which file fort.20 corresponds to. Then you should be able to solve your problem.<br><br>HTH<br>Pascal<br></font><br><br><div>venkatesh chandragiri <venkyphysicsiitm@gmail.com> wrote:<blockquote type="cite" cite="<CACS+pXNHRA74VSUi5=aQb2eF=gJCNHnjbFegvuYna009gsg38A@mail.gmail.com>"><div dir="ltr"><div><div><div><br clear="all"></div>Dear Wien2k users and Prof. Blaha,<br><br></div><br></div>For my given structure, i had run the SCF calculation which was converged. Later, the calculations are saved using "save_lapw" and then tried to do DOS calculations.<br>
<div><br><br>I got an error while running the command "<b>x lapw2 -up -qtl -c" </b>which is given as below.<br><br>=============================================<br><pre> Running LAPW2 in single processor mode
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 20, file /home/venkatesh/Fe2VA75In25_SP_SCF/fort.20
Image PC Routine Line Source
lapw2c 00000000005339CA Unknown Unknown Unknown
lapw2c 00000000005324C6 Unknown Unknown Unknown
lapw2c 00000000004E26C0 Unknown Unknown Unknown
lapw2c 00000000004A1AAE Unknown Unknown Unknown
lapw2c 00000000004A0FEF Unknown Unknown Unknown
lapw2c 00000000004BF008 Unknown Unknown Unknown
lapw2c 0000000000474399 MAIN__ 148 lapw2_tmp_.F
lapw2c 00000000004038CC Unknown Unknown Unknown
libc.so.6 0000003D66C1ECDD Unknown Unknown Unknown
lapw2c 00000000004037C9 Unknown Unknown Unknown
0.006u 0.006s 0:00.01 0.0% 0+0k 0+8io 0pf+0w
error: command /usr/local/WIEN2K_12/lapw2c uplapw2.def failed<br><br>===========================================================<br></pre>I have searched in the wien2k mailing list regarding to this error and have not found any suitable information. Kindly, suggest me the possible reason for this error.<br>
<br></div><div>thanks in advance<br></div><div><br><div><div>With best regards,<br><br></div><div><div dir="ltr"><div><div style="font-family:arial;font-size:small">Ch. Venkatesh,</div><div style="font-family:arial;font-size:small">
C/o. Prof. V. Srinivas,</div><div style="font-family:arial;font-size:small">Department of Physics </div><div style="font-family:arial;font-size:small">IIT chennai</div><div style="font-family:arial;font-size:small">ph: +91445909693</div>
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