Dear all QE users,<br><br>I m having problem with reading of pp's taken from QE site <a href="http://www.quantum-espresso.org/pseudo.php">http://www.quantum-espresso.org/pseudo.php</a><br><br>I did many scf runs e.g. on Al, AlAs, PbTiO3 etc., and found the problem in reading the pp file.<br>
<br>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.<br>
<br>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.<br><br>small trivial program used to read is:<br> program red<br>
implicit none<br> character :: char1*10, char2*50<br> open(unit=1, file="As.pz-bhs.UPF", status="old") <br> <br> read (1,"(A10)") char1<br> read (1,"(A50)") char2<br>
<br> write(*,"(A10)") char1<br> write(*,"(A50)") char2<br> end program red<br><br>Output of above program:<br><br>1)For pp As.pz-bhs.UPF in " pseudo " is : <br><br><PP_INFO> <br>
Generated using unknown code <br><br>2) For EXACTLY SAME pp As.pz-bhs.UPF from site is:<br><br>forrtl: No such file or directory<br>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<br>
Image PC Routine Line Source <br>a.out 000000000046E6BD Unknown Unknown Unknown<br>a.out 000000000046D1C5 Unknown Unknown Unknown<br>
a.out 0000000000447EE9 Unknown Unknown Unknown<br>a.out 000000000043596F Unknown Unknown Unknown<br>a.out 00000000004351A2 Unknown Unknown Unknown<br>
a.out 0000000000408FDD Unknown Unknown Unknown<br>a.out 0000000000402CC4 Unknown Unknown Unknown<br>a.out 0000000000402C2C Unknown Unknown Unknown<br>
libc.so.6 00007FDAD9BB6586 Unknown Unknown Unknown<br>a.out 0000000000402B29 Unknown Unknown Unknown<br><br><br><br>I don't know why the pp's are not read by the program?<br>
<br>I really need your help !!!<br>Please help me to find the solution.<br><br>With Kind Regards, <br>Sonu Kumar<br><br>Phd Student<br>Physics Department<br>Indian Institute of Technology <br>Delhi-110016, India<br>web:-<a href="http://www.iitd.ac.in/">http://www.iitd.ac.in/</a><br>