<br clear="all">Dear wien2k users,<br><br>I have problem while plotting the band structure with "x irrep up/dn" calculation. I have run the both "x irrep up/dn, x lapw2 -qtl up/dn" to plot band character plots. However, after editing the "case.insp", i am getting the following error when i try to run "x spaghatti up/dn". <br>
<br>----------------------------------------------------------------------------<br><pre> number of k-points read in case.vector= 152
forrtl: severe (64): input conversion error, unit 30, file /home/venkatesh/Fe2VAl111_SP_F/Fe2VAl111_SP_F.irrepup
Image PC Routine Line Source
spaghetti 000000000049AEFA Unknown Unknown Unknown
spaghetti 00000000004999F6 Unknown Unknown Unknown
spaghetti 0000000000477650 Unknown Unknown Unknown
spaghetti 000000000046128E Unknown Unknown Unknown
spaghetti 00000000004607CF Unknown Unknown Unknown
spaghetti 000000000042E71E Unknown Unknown Unknown
spaghetti 000000000042BF18 Unknown Unknown Unknown
spaghetti 000000000041BE67 MAIN__ 261 spag.f
spaghetti 0000000000402C6C Unknown Unknown Unknown
libc.so.6 0000003D66C1ECDD Unknown Unknown Unknown
spaghetti 0000000000402B69 Unknown Unknown Unknown
0.036u 0.009s 0:00.04 75.0% 0+0k 0+8io 0pf+0w
error: command /usr/local/WIEN2K_12/spaghetti upspaghetti.def failed</pre>--------------------------------------------------------------------------<br>Further, if i remove the "case.irreup/dn" files from the working folder, i could able to run the "x spaghatti up/dn" without any error and plotting of band structure was also observed. <br>
<br>So, can you kindly suggest me possible reason for the above mentioned error and its possible solution.<br><br>thanks in advance<br><br>regards,<br><br>Ch. venkatesh<br><br><br>