Dear Wien2k user,
can any one tell me, how to check that wien2k is installed properly or
not...because when i am trying reproduce data of published paper then it
gives QTLB -error, segmentation fault error, Cannot allocate array -
overflow on array size and many more..
what will be the possible cases for these error ...while i am using the
same lattice parameter, RMT and other input parameter mention in the
published paper..
one more doubt related to the properties ....one author has been published
the paper one particular material and reported band gap value of 1.2eV but
i found 1eV while i am using the same input parameter reported in published
paper..
these all above papers used wien2k code to compute the properties...
What will be the possible reason?????
--
Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
+91-7610950803
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html
