WIEN2PHON is a collection of perl scripts and
small f90 programs to interface the PHON program with the WIEN2k program.
Please note that these programs come unsupported, meaning that:
- There is only little documentation appart from a simple README file. The source codes are the main documentation.
- I have only tried it on a few system and cannot guaranty that it works correctly on all systems. To be sure of what you are doing you should carefully read the documentation (see point above).
- If you do find problems and are able to correct them, please report it. Also if you feel the urge to document or explain something, please send it to me and I'll include it for the benifit of others. Hopefully we can make a collaborative effort for a nice interface.
- Questions sent to my private email will NOT (!!!) be answered. Try the WIEN mailing list.
I've only tried the program for the ifc compiler and found that a few small corrections were necesarry to make it run:
in
numeric_force.f
replace
if( adis1(i) > adis1(i-1) .and. i > 1 ) idisp = 1
by
if(i > 1 .AND. adis1(i) > adis1(i-1) ) idisp = 1
in
set_lattice.f
replace
read(1,*) latt%xs(:,na)
by
read(1,*) latt%xs(1:3,na)
in
get_displ.f
replace all
print
with
print*,
Update history:
tir maj 24 07:39:19 CEST 2005: First version
