[Pw_forum] Problem in reading PP's taken from QE site?

[sonu kumar]

Dear all QE users,

I m having problem with reading of pp's taken from QE site
http://www.quantum-espresso.org/pseudo.php

I did many scf runs e.g. on Al, AlAs, PbTiO3 etc., and found the problem in
reading the pp file.

Error of not finding the  pp file comes( like file ./Al.pz-vbc_s1.UPF not
found), while with exactly same pp present in "pseudo", no error comes. e.g
with   Al, As  pp's : Al.pz-vbc.UPF, As.pz-bhs.UPF etc.

I, further, checked  by reading the first two lines of pp's. PP's present in
"pseudo" are read  but  that taken from site are not read.

small trivial program used to read is:
  program red
      implicit none
      character :: char1*10, char2*50
      open(unit=1, file="As.pz-bhs.UPF", status="old")

      read (1,"(A10)") char1
      read (1,"(A50)") char2

      write(*,"(A10)") char1
      write(*,"(A50)") char2
  end program red

Output of above program:

1)For pp As.pz-bhs.UPF in " pseudo " is :

<PP_INFO>
Generated using unknown code

2) For EXACTLY SAME pp As.pz-bhs.UPF from site is:

forrtl: No such file or directory
forrtl: severe (29): file not found, unit 1, file
/home/hcg/Desktop/DESKTOP_sonu/CODES/pwscf/sonu-exercise_QE/AlAs/As.pz-bhs_s1.UPF
Image              PC                Routine            Line
Source
a.out              000000000046E6BD  Unknown               Unknown  Unknown
a.out              000000000046D1C5  Unknown               Unknown  Unknown
a.out              0000000000447EE9  Unknown               Unknown  Unknown
a.out              000000000043596F  Unknown               Unknown  Unknown
a.out              00000000004351A2  Unknown               Unknown  Unknown
a.out              0000000000408FDD  Unknown               Unknown  Unknown
a.out              0000000000402CC4  Unknown               Unknown  Unknown
a.out              0000000000402C2C  Unknown               Unknown  Unknown
libc.so.6          00007FDAD9BB6586  Unknown               Unknown  Unknown
a.out              0000000000402B29  Unknown               Unknown  Unknown



I don't know why the pp's are  not read by the program?

I really need your help !!!
Please help me to find the solution.

With Kind Regards,
Sonu Kumar

Phd Student
Physics Department
Indian Institute of Technology
Delhi-110016, India
web:-http://www.iitd.ac.in/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100615/fd26a9a9/attachment.html>