[Pw_forum] a question on pseudopotential generation

2013-03-12 Thread Yue-Wen Fang
w.ecnu.edu.cn/english/> Phone: +86-18321726131 I will persist until I succeed! -- next part ------ An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130312/14d38730/attachment.html

[Pw_forum] a question on pseudopotential generation

2013-03-12 Thread Yue-Wen Fang
y of Polar Materials and Devices, Ministry of Education East China Normal University Phone: +86-18321726131 I will persist until I succeed! -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130312/b2a0bf2c/attachment.html

[Pw_forum] a question on pseudopotential generation

2013-03-12 Thread Lorenzo Paulatto
+33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130312/20be9fd2/attachment.html

[Pw_forum] is it orthorhombic or triclinic?

2013-03-12 Thread Gabriele Sclauzero
sholds and numerical accuracy in the cleavage procedure. HTH GS ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130312/17457f9f/attachment.html

[Pw_forum] Wave function files

2013-03-12 Thread Gabriele Sclauzero
I don't see why the max_seconds option should not work. You might just need to decrease the max_seconds value by a proper amount of time, in order to be sure that the elapsed time is checked by the program before the end of the actual walltime of your batch job. This amount depends on the time

[Pw_forum] a question on pseudopotential generation

2013-03-12 Thread Lorenzo Paulatto
On 12 March 2013 13:14, Yue-Wen Fang wrote: > I really don not know how to understand "push slightly outwards"? make it larger > In addition, why to try rcore=2.0 but not other values? 2.0 is an example, try other values too bests -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Pari

[Pw_forum] problem with el-ph calculation: lambda.x run

2013-03-12 Thread mousumi uk
Hello All, We encounter some problem while trying to calculate el-ph coupling calculation and getting T_c with QE 4.3.2 (checked other versions as well). The system is simple graphene. Till 6th step in example07, things look okay (at least the output files look similar to that of Al case, as in t