[Pw_forum] Convergence Problem on dipole correction and XCrysden problem on X86_64

[sei ou]

Dear all,

Would you please answer my following questions?

(1) ZnO polar surface simulation using dipole correction:
Recently I performed test calculation on ZnO polar surface, when using
dipole correction, the convergence is very difficult to achieve, even in a
single scf cycle. Could anyone tell me where is wrong in my attached input
file?

(2)  Xcrysden installation problem on 64 bit machine.
Xcrysden-pre1.5 source code can be compiled on Ubuntu 8.04 x86_64, but when
I run xcrysden, it always crashs.
by using xcrysden -d, I got the follwing error messages:

This GDB was configured as "x86_64-linux-gnu"...
[Thread debugging using libthread_db enabled]
[New Thread 0x7f1ab074b6f0 (LWP 9336)]
[New Thread 0x40ac4950 (LWP 9339)]
Running on platform: unix
Taking settings for 1280x1024 screen-resolution !!!
-------------------
Small  Font Size set to:   10
Normal Font Size set to:   12
Executing: ~/linux/XCrySDen-pre1.5bs-all/bin/ftnunit

Program received signal SIGSEGV, Segmentation fault.
[Switching to Thread 0x7f1ab074b6f0 (LWP 9336)]
0x0000000000746e69 in ?? ()

Where is the problem, also when compiling the code, there are warning
messages on 'imcompatible pointer type'. Is there a 64 bit binary files on
version 1.5?

Thank you in advance

Sei Ou
Simulatio Co.
Yokohama Japan
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