[Wien] Need help please

2015-10-05 Thread sikander Azam 
Dear User
I am confused, that in the LAPW method the potential is spherically
symmetric potential in the Muffin-tin region while in the FPLAPW method the
potential is not spherically symmetric?
please explain it.
Regards
Sikander
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[Wien] Need help please

2015-05-05 Thread sikandar azam 
Resp. AllIn calculation I am facing the following problem, please help me.
Error in lapw2'FERMI -# of k-points in up and down not equal:'FERMI -k1, 224 
225 check INPUTS OF LAPW1

With best regardssikander
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[Wien] Need Help please

2014-03-10 Thread kalsoom Khan 
Dear All
Why we use Gmax=12 in our calculation, Please explain me what it means, (i.e. i 
don't know the Gmax)
With regards
kalsoom___
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Re: [Wien] Need Help please

2014-03-10 Thread tran 

Look at page 117 of the UG:
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf

Usually, we don't need to care about Gmax since 12 is good enough in
most cases.

On Mon, 10 Mar 2014, kalsoom Khan wrote:


Dear All
Why we use Gmax=12 in our calculation, Please explain me what it means,
(i.e. i don't know the Gmax)
With regards
kalsoom



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Re: [Wien] Need help please

2013-11-07 Thread Luis Ogando 
Dear Khan,

   Take a look on section 12 (Trouble Shooting) of the User's Guide. It
will give you some hints on this problem.
   Good luck !
  Luis


2013/11/7 kalsoom Khan kkkhan.qu...@yahoo.com

 Respected all
 I am runing the scf for mBJ but this give me the error x lapw1.error
 when i checked that error so this was written

 **  Error in Parallel LAPW1
 **  LAPW1 STOPPED at Wed Apr 10 19:29:04 CEST 2013
 **  check ERROR FILES!
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
  'SELECT' - E-bottom   -1.51200   E-top -200.0
 Error in LAPW1
  'SELECT' - no energy limits found for L= 1
 lapw1.error 87L, 5002C

 So please help me what should i do.
 with regards
 kalsoom

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