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hdr_check problem on rf calculation


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  • From: "" <xzp02@mails.tsinghua.edu.cn>
  • To: forum@abinit.org
  • Subject: hdr_check problem on rf calculation
  • Date: Mon, 19 Jul 2004 17:35:43 +0800

Dear All:
I am constructing an elastic constant calculation with rf. Here is
part of my input file:
-----------------------
ndtset 2

# dataset 1
kptopt1 1
#dataset2
getwfk2 -1
kptopt2 2
nqpt2 1
qpt2 0 0 0
rfstrs2 3
rfdir2 1 1 1

# common input data
nstep 100
toldff 5.0d-6
tolmxf 5.0d-5
diemac 1.0d0
ecut 35
nshiftk 1
shiftk 0 0 0
ngkpt 2 2 4
prtgeo 1
prtden 1
----------------------------
But later a got lots of warnings like that:
----------------------------
hdr_check: WARNING -
For k point number 1 input istwfk= 1 not equal disk file istwfk= 2
......
hdr_check: WARNING -
Restart of self-consistent calculation need translated wavefunctions.
Indeed, critical differences between current calculation and
restart file have been detected in:
* the format of wavefunctions (istwfk)
----------------------------
Can anyone tell me how to avoid this?

Best,

ZP

--
---------------------------------------------
Xu ZhiPing
Ph.D Candidate
Office: 3-405
Tel : +86-10-627-83814
Department of Enginnering Mechanics
Tsinghua University
Beijing, CHINA, 100084
---------------------------------------------




  • hdr_check problem on rf calculation, , 07/19/2004

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