[Wien] Error in Lapw1 using mBJ

2012-05-11 Thread t...@theochem.tuwien.ac.at
From: tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Sent: Thursday, May 10, 2012 9:52 PM Subject: Re: [Wien] Error in Lapw1 using mBJ When does it occur? Directly at the 1st

[Wien] Error in Lapw1 using mBJ

2012-05-10 Thread Masood Yousaf
Dear Users I am having problem in executing a file with mBJ. Fallowing error comes in Lapw1. Kindly guide me how to correct this error Error in LAPW1 ?'SELECT' - no energy limits found for L= 0??? ?'SELECT' - E-bottom -200.0?? E-top -200.0??? Thank you

[Wien] Error in Lapw1 using mBJ

2012-05-10 Thread t...@theochem.tuwien.ac.at
When does it occur? Directly at the 1st iteration or later? On Thu, 10 May 2012, Masood Yousaf wrote: Dear Users I am having problem in executing a file with mBJ. Fallowing error comes in Lapw1. Kindly guide me how to correct this error Error in LAPW1 ?'SELECT' - no energy limits

[Wien] Error in Lapw1 using mBJ

2012-05-10 Thread Masood Yousaf
at theochem.tuwien.ac.at To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Sent: Thursday, May 10, 2012 9:52 PM Subject: Re: [Wien] Error in Lapw1 using mBJ When does it occur? Directly at the 1st iteration or later? On Thu, 10 May 2012, Masood Yousaf wrote: Dear Users I