The ABINIT Users Mailing List ( CLOSED )

[kostja@iss.univ.uzhgorod.ua (Konstantin Z. Rushchanskii)]

Dear all,

I try to use the ABINIT 3.4.3 package on Windows 2000 Pro 
(Pentium III Processor) and I have some severe problems:

1. AIM-postprocessor stops with error:
<
 ECHO of the INPUT
 ************************
 ERROR in digits of ATOM
>

In input file there is 
ATOM 1


2. Results for Test t95 from Test_v3 very differs in comparison with 
Reference t95.out:
there is difference in occupation numbers, in the "ziontypat" parameter, 
which results in twice smaller total energy.
I has used the same pseudopotensials as in Reference.

3. In addition, IFC-code stops with error
<
 ewald9 : BUG
  mr is too small
  Action : contact ABINIT group.
>
when I try to calculate phonon band spectrum for gamma-InSe crystal
(this BUG is present in all versions from 3.2.3)


Someone had similar problems under Windows?

Thanks in advance for your answer,
Konstantin


--
K.Rushchanskii, C.Sc.
Institute for Solid State Physics and Chemistry                
Uzhgorod University, 54 Voloshyn St., 88000 Uzhgorod, UKRAINE  
tel/fax +38 (03122) 3-23-39      e-mail: rushchanskii@mail.ru