Dear Pranay Biswas Version 4.1.2 is outdated since six or seven years. I'm not even going to try to understand your problem if you use such an old version of the code. HTH Giuseppe
On Tuesday, May 17, 2016 04:25:42 PM pranay biswas wrote: > dear quantum espresso users, > I'm new in this world.please help me > I'm trying to produce ultra soft pseudo potential for Titanium using QE > 4.1.2. > given input is > > &input > > title='Ti', > > zed=22, > > rel=0, > > beta=0.5, > > rlderiv=2.4, > > eminld=-4.0, > > emaxld=4.0, > > deld=0.02d0, > > nld=3, > > config='[Ar] 3d2 4s2 ', > iswitch=3, > > dft='PBE', > > / > > &inputp > > pseudotype=3, > > lloc=0, > > rcloc=2.90, > > file_pseudopw='Ti.pbe.nrUS', > > / > > 6 > > 3D 3 2 1.00 0.00 2.00 2.60 > > 3D 3 2 0.00 0.05 2.00 2.60 > > 3D 3 2 1.00 0.00 2.00 2.60 > > 3D 3 2 0.00 -0.00 2.00 2.60 > > 4S 1 0 2.00 0.00 2.20 2.90 > > 4S 1 0 0.00 -0.00 2.20 2.90 > > > and when run the error appear as follow > > > Program LD1 v.4.1.2 starts ... > > Today is 17May2016 at 15:38:57 > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > from ld1_readin : error # 1 > > only one local channel > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > stopping ... > > > how can I recover this problem. anybody help ,thanks by advanced... ******************************************************** - Article premier - Les hommes naissent et demeurent libres et égaux en droits. Les distinctions sociales ne peuvent être fondées que sur l'utilité commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la liberté, la propriété, la sûreté et la résistance à l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM), Italy Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.matti...@ism.cnr.it> http://www.ism.cnr.it/en/staff/giuseppe-mattioli/ ResearcherID: F-6308-2012 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
