[Pw_forum] problem in the phonon computation of Ge

[Shaorui Sun]

Dear all:
    When I calculate the phonon of Ge at X point, the ph.x stopped with the follow information:
------------------------------------------------------------

     Program PHONON    v.2.0.4  starts ...
     Today is  2Apr2005 at 23:23:23 

     Ultrasoft (Vanderbilt) Pseudopotentials
  
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from phq_readin : error #         1
     gamma is needed for elec.field
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
-------------------------------------------------------------
   the input file of the pw.x is shown as follows:
----------------------------------------------------------
&control
    calculation='phonon',
    restart_mode='from_scratch',
    prefix='Ge-dia'
    pseudo_dir = '/home/wien2k/pw/pseudo/',
    outdir='/biology/wien2k/pwwork/Ge/v0/X/'
 /
 &system    
    ibrav = 2, celldm(1) =10.691886, nat=  2, ntyp= 1,
    ecutwfc = 40.0
 /
 &electrons
    mixing_beta = 0.7
    conv_thr =  1.0d-8
 /
 &phonon
    xqq(1)=1.0, xqq(2)=0.0, xqq(3)=0.0
 /

ATOMIC_SPECIES
 Ge  72.61  Ge.pw91-n-van.UPF
ATOMIC_POSITIONS
 Ge 0.00 0.00 0.00 
 Ge 0.25 0.25 0.25
K_POINTS automatic
  12 12 12   1 1 1
--------------------------------------------------
and  the input file of the ph.x is shown as follows:
-------------------------------------------------------
phnons of Ge at Gamma
 &inputph
  tr2_ph=1.0d-14,
  prefix='Ge-dia',
  epsil=.true.,
  amass(1)=72.61,
  outdir='/biology/wien2k/pwwork/Ge/v0/X/',
  fildyn='Ge-dia.dynG',
 /
1.0 0.0 0.0
----------------------------------------------
 Who know what is the matter, and how to resolve it?
    

Best Regards!
                        S. R. Sun
---------------------------------------------
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
P. O. Box 918, 100049 Beijing
P. R. China
Tel: 0086+10 88236710
email:sunsr at ihep.ac.cn