<div dir="ltr">Dear wien2k users,<div><br></div><div> We were trying to simulate the properties of a Heusler alloy in presence of external magnetic field. Consequently, we have edited the input file case.inorb as shown below:</div><div><br></div><div> 3 2 0 nmod, natorb, ipr</div><div>PRATT 1.0 BROYD/PRATT, mixing</div><div> 1 1 2 iatom nlorb, lorb</div><div> 2 1 2 iatom nlorb, lorb</div><div> 0.1. Bext in T</div><div> 0. 0. 1. direction of Bext in terms of lattice vectors</div><div> <br clear="all"><div>However, after first cycle an error appeared as fllows;</div><div><br></div><div><div>forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/akdas/Srimanta/CFG_mag/CFG_mag.inorb</div><div>Image PC Routine Line Source </div><div>orb 00000000004403FA Unknown Unknown Unknown</div><div>orb 000000000043DFF7 Unknown Unknown Unknown</div><div>orb 000000000040D590 init_ 188 init.f</div><div>orb 0000000000403A81 MAIN__ 103 main.f</div><div>orb 00000000004031F6 Unknown Unknown Unknown</div><div>libc.so.6 0000003E0FC1ED1D Unknown Unknown Unknown</div><div>orb 00000000004030E9 Unknown Unknown Unknown</div><div><br></div><div>> stop error</div><div><br></div></div><div>We guess there is some problem in our provided format of the input file!</div><div><br></div><div>Any response in this regard will be helpful for us. Thanks in advance,</div><div><br></div><div>with regards, </div>-- <br><div class="gmail_signature">Shamik Chakrabarti<br>Senior Research Fellow<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA</div>
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