<div dir="ltr"><div><div><div><div><div><div><div><div><div><div><div><div><div><div>Dear Prof. Blaha $ Other Experts<br></div> We are
trying to install WIEN2k13.1 rather than upgrading earlier version WIEN2k10.1, but we are facing some problems. Need your
help and guidance to do it successfully. The details of hardware and
software are as follows:<br>
</div>1) We are using INTEL dual core system with 2Gb RAM and 250 Gb hard disk<br></div>2) Plateform is Ubantu 12<br></div><div>3) We are using gfortran compiler and GotoBlas library installed on the system and hence give 'V' option in compilation<br>
</div>4) While compiling we use gfortran and gcc options in compilation<br><br></div>During compilation it does not give any errors but warnings are obtained regarding the mismatch and delete feature.<br><br></div>We tried to check the WIEN2k13.1 installed by us for TiC and observed that Tic.struct is
successfully generated, initilization is also done without any errors
but when we run scf cycle for energy convergence .0001 and charge
convergence .001, in first cycle itself it passed through lapw0, lapw1 but
in lapw2 it gives error like: "Error in LAPW2<br></div>
'LAPW2' - semicore band-ranges too large, ghostbands ?"<br>The messages obtained in lapw2 is attached herewith for your kind perusal.<br></div><br></div>Kindly help us to resolve the problem and install wien2k13.1 successfully.<br>
<br></div>
with kind regards<br></div>Yours sincerely<br><br></div>K.S. Sharma<br></div>The IIS University<br></div>Jaipur, India</div>