The ABINIT Users Mailing List ( CLOSED )

[vikas sharma <vikassharma_jnu@yahoo.co.in>]

Hello
the make utility did not find the etsf_io.mod file wherever it was directed to search. Though there was no such warning during the run of ./configure command.
Kindly help me in resolving the problem.
thanks in advance.
The error message is as follows:
==================================
make[2]: Entering directory `/abinit-5.6.4/tmp/src/13iovars'
gfortran -DHAVE_CONFIG_H -I. -I../../../src/13iovars -I../.. -I../../src/defs -I../../../src/defs -I/abinit-5.6.4/tmp/plugins/netcdf -I/abinit-5.6.4/tmp/plugins/etsf_io -I/abinit-5.6.4/tmp/plugins/bigdft   -g -O2 -march=opteron  -c -o chkinp.o ../../../src/13iovars/chkinp.F90
../../../src/13iovars/chkinp.F90:50.12:

 use etsf_io
           1
Fatal Error: Can't open module file 'etsf_io.mod' for reading at (1): No such file or directory
make[2]: *** [chkinp.o] Error 1
make[2]: Leaving directory `/abinit-5.6.4/tmp/src/13iovars'
make[1]: *** [check-recursive] Error 1
make[1]: Leaving directory `/abinit-5.6.4/tmp/src'
make: *** [check-recursive] Error
=============================================

regards
Vikas Sharma,
Research Scholar,
Physics Department,
IIT Delhi, New Delhi-16, India.


--- On Mon, 26/1/09, Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be> wrote:

From: Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>
Subject: [abinit-forum] pseudopotential _expression_
To: forum@abinit.org
Date: Monday, 26 January, 2009, 9:11 PM

Dear ABINIT users,

I am searching in pseudopotential home page files ( under http://www.abinit.org/Psps/?text=psps)  for pseudopotential _expression_. For example for Ti (3s23p64s03d2 ) but when I open for any element in TM psp ( http://www.abinit.org/Psps/?text=../Psps/LDA_TM/lda) , for example O :

Troullier-Martins psp for element  B         Thu Oct 27 17:29:24 EDT 1994
   5.00000   3.00000    940714                zatom, zion, pspdat
    1    1    1    1      2001    .00000      pspcod,pspxc,lmax,lloc,mmax,r2well
    0   8.313  21.401    1   1.5924135        l,e99.0,e99.9,nproj,rcpsp
    .00000000    .0000000000    .0000000000    .00000000   rms,ekb1,ekb2,epsatm
    1  11.531  17.234    0   1.5924135        l,e99.0,e99.9,nproj,rcpsp
    .00000000    .0000000000    .0000000000    .00000000   rms,ekb1,ekb2,epsatm
    1.10004537463277     .35216853368804     .40909985967175   rchrg,fchrg,qchrg
    0 =l for Troullier-Martins pseudopotential


My question, where I can find the _expression_ of any psp ?

Cordialement,
Sincerely yours,

====================================
Dr. Souraya Goumri-Said
Centre de recherche en Physique de la Matière et du Rayonnement (PMR)
Laboratoire de Physique du Solide
Facultés Universitaires Notre-Dame de la Paix
Rue de Bruxelles 61 - B - 5000 Namur
Tel : +32(0)81 72 47 01
Fax : +32(0)81 72 47 10
email : Souraya.Goumri-Said@fundp.ac.be

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